Release Polish by GregJohnsonJr · Pull Request #48 · mums2/mpactr

GregJohnsonJr · 2025-03-28T19:21:04Z

As per #46

…anual

…d workflow

* Added functionality for multiple group filters. * Copy functionality added! * Custom print statement added! * RCMD check works! * Fixed incorrect summary after differnt filter runs Co-authored-by: GregJohnson <31873199+YoungKrug@users.noreply.github.com>

Co-authored-by: GregJohnson <YoungKrug@users.noreply.github.com>

… .lintr file

…e the .lintr.

…ncy of lintr between my version and ubuntu's.

commit 0e5b25808de6787fab9763a8df3247b4d1b7707c Author: GregJohnsonJr <gregjohn456@gmail.com> Date: Thu Mar 13 15:21:11 2025 -0400 License should be corrected now. commit 7f2957cda99b77c9d9def3bd5b8e127c298151b4 Author: GregJohnsonJr <gregjohn456@gmail.com> Date: Thu Mar 13 12:10:26 2025 -0400 Fix for license and pkgdown links. commit 109473c996106701e595eee03b834092a83c8b8a Author: GregJohnsonJr <gregjohn456@gmail.com> Date: Wed Mar 12 17:56:38 2025 -0400 Modifying r build ignores and gitignore commit cfb2938bb229d97db0152a39646846f27ac80abf Author: Gregory Johnson <31873199+GregJohnsonJr@users.noreply.github.com> Date: Wed Mar 12 17:29:30 2025 -0400 Moving Data.table from depends to import (#32) * set up filter article * add basic readme - consider adding background from original program manual * design logo? * switch article to quarto * add functionality for extracting a single filter summary * add check for technical replicates * add documentation for filter_summary * convert prints to cli and add checks for filter functions * add functionality to return a data.table of similar ions for mispicked workflow * add full draft filter article * update vignette builder * add usethis use_articles created .gitignore * initalize website with pkgdown * Relase bug fixes (#8) (#9) * Added functionality for multiple group filters. * Copy functionality added! * Custom print statement added! * RCMD check works! * Fixed incorrect summary after differnt filter runs Co-authored-by: GregJohnson <31873199+YoungKrug@users.noreply.github.com> * fix typo to pass RCMD * fix partial group match warning in tests * remove non-exported function documentation * remove non-exported function documentation * add formatted website * demostrate copy and print functionality * add functionality to extract group averages table) * show step by step tree map * update text * return peak table, not a print of peak table * add accessor for cv values, error if cv filter has not been run failing * update accessor names * fix cv accessor test fail by changing name * fix typos * store raw peak table * remove man pages after changing names * set print inside class * Modified the constructor to allow for data.frames and data.tables to be passed through. * get_group_averages should return group averages of the filtered table at any stage * update variable names to be inclusive of data frame as input * add cv plot * show cv plot of cv filtered data only * format cv threshold plot for the article * add option for merging method, all tests pass * Add new method parameter to documentation * Require users to choose a cv_threshold * add new accessors to website * update roxygen version * create an example dataset that has both solvent and media blanks to show filtering both * Add in new example dataset, update filters, and show mutliple group filters * add downstream analysis article * add get_cv_data reference * add articles ignore * figure out how to order articles - does not work * update todo * Lintr (#16) * lint and style R dir - need to fix complexity error * lint and style raw data scripts - no errors * update name to snakecase * update manual pages after lint and styling * Fix small typos in filters documentation * Test have been linted! * Revert "Merge branch 'lintr' of https://github.com/SchlossLab/mpactR into lintr" This reverts commit 83e6f3e7c636c9e6254c396842d7e724958662a9, reversing changes made to 318927f66ed22048a57b3555c26b3a0a8a4073f5. * fix typos in articles an lint/style * add back typo fixes in filters documentation * fix character limit lintr issue * add an informative error message a filter has already been applied to input data object * add a designated reference semantics article * add copy_object explaination in filters details * fixed code to resolve knitting error * Fix for cyclomatic complexity. * Add in chemistry documentation suggestions * We don't recommend setting bounds to account for 0's in the table * add expanded section for R6 specifics * Link filter article on main page * be consistent with '.' in documentation * Fix typos and add in suggestions * allow https url for data input --------- Co-authored-by: YoungKrug <31873199+YoungKrug@users.noreply.github.com> * Release articles (#19) * Add functionality from PR 16 (#17) * Created RMD check full for our R package. * Create test-coverage.yml * Create lintr.yml * Release articles (#10) * set up filter article * add basic readme - consider adding background from original program manual * design logo? * switch article to quarto * add functionality for extracting a single filter summary * add check for technical replicates * add documentation for filter_summary * convert prints to cli and add checks for filter functions * add functionality to return a data.table of similar ions for mispicked workflow * add full draft filter article * update vignette builder * add usethis use_articles created .gitignore * initalize website with pkgdown * Relase bug fixes (#8) (#9) * Added functionality for multiple group filters. * Copy functionality added! * Custom print statement added! * RCMD check works! * Fixed incorrect summary after differnt filter runs Co-authored-by: GregJohnson <31873199+YoungKrug@users.noreply.github.com> * fix typo to pass RCMD * fix partial group match warning in tests * remove non-exported function documentation * remove non-exported function documentation * add formatted website * demostrate copy and print functionality * add functionality to extract group averages table) * show step by step tree map * update text * return peak table, not a print of peak table * add accessor for cv values, error if cv filter has not been run failing * update accessor names * fix cv accessor test fail by changing name * fix typos * store raw peak table * remove man pages after changing names * set print inside class * Modified the constructor to allow for data.frames and data.tables to be passed through. * get_group_averages should return group averages of the filtered table at any stage * update variable names to be inclusive of data frame as input * add cv plot * show cv plot of cv filtered data only * format cv threshold plot for the article * add option for merging method, all tests pass * Add new method parameter to documentation * Require users to choose a cv_threshold * add new accessors to website * update roxygen version * create an example dataset that has both solvent and media blanks to show filtering both * Add in new example dataset, update filters, and show mutliple group filters * add downstream analysis article * add get_cv_data reference * add articles ignore * figure out how to order articles - does not work * update todo --------- Co-authored-by: GregJohnson <31873199+YoungKrug@users.noreply.github.com> Co-authored-by: GregJohnson <YoungKrug@users.noreply.github.com> * fix documentation errors in R CMD - check and all tests pass * ensure articles build * add vignette builder * Revert "fix documentation errors in R CMD - check and all tests pass" This reverts commit f40cd276f43874162d8cbad9d251ab7221afd422. * changes to pass check * fix documentation warnings * no vignettes to build * add line ending to fix incomplete line warning * explain reference semantics sooner to introduce copy_object * run site through github actions * add in website formatting * see if quarto dependency fixes pkgdown namespace error * add quarto depends to website only * removing quarto from suggets cuases error in assigning vignetter builder * Update pkgdown.yaml add quarto to actions * add lines to solve endline error * Update DESCRIPTION * Update pkgdown.yaml, removed white spaces * load library, not load_all * Update _pkgdown.yml * article packages to website needs * Update pkgdown.yaml * dont use vignette builder - render as html * Create pkgdown_quarto.yml * run with default build_site * Update pkgdown_quarto.yml * Update pkgdown_quarto.yml * Update pkgdown_quarto.yml * Update pkgdown_quarto.yml * Update pkgdown_quarto.yml * go back to quarto vignette * Pkgdown Fixes (#12) * Created RMD check full for our R package. * Create test-coverage.yml * Create lintr.yml * explain reference semantics sooner to introduce copy_object * run site through github actions * add in website formatting * see if quarto dependency fixes pkgdown namespace error * add quarto depends to website only * removing quarto from suggets cuases error in assigning vignetter builder * Update pkgdown.yaml add quarto to actions * add lines to solve endline error * Update DESCRIPTION * Update pkgdown.yaml, removed white spaces * load library, not load_all * Update _pkgdown.yml * article packages to website needs * Update pkgdown.yaml * dont use vignette builder - render as html * Create pkgdown_quarto.yml * run with default build_site * Update pkgdown_quarto.yml * Update pkgdown_quarto.yml * Update pkgdown_quarto.yml * Update pkgdown_quarto.yml * Update pkgdown_quarto.yml * go back to quarto vignette --------- Co-authored-by: Allison R Mason <31289802+amason30@users.noreply.github.com> Co-authored-by: amason30 <masonar@umich.edu> * Prep for release (#14) * Created RMD check full for our R package. * Create test-coverage.yml * Create lintr.yml * explain reference semantics sooner to introduce copy_object * run site through github actions * add in website formatting * see if quarto dependency fixes pkgdown namespace error * add quarto depends to website only * removing quarto from suggets cuases error in assigning vignetter builder * Update pkgdown.yaml add quarto to actions * add lines to solve endline error * Update DESCRIPTION * Update pkgdown.yaml, removed white spaces * load library, not load_all * Update _pkgdown.yml * article packages to website needs * Update pkgdown.yaml * dont use vignette builder - render as html * Create pkgdown_quarto.yml * run with default build_site * Update pkgdown_quarto.yml * Update pkgdown_quarto.yml * Update pkgdown_quarto.yml * Update pkgdown_quarto.yml * Update pkgdown_quarto.yml * go back to quarto vignette * update todo * start formatter functions for mpactr class construction - tests pass, need to add to the import and constructor functions and test * Allow users to submit feature tables exported from different tools - need to fix global bindings warning for formatter script Co-authored-by: GregJohnson <YoungKrug@users.noreply.github.com> * update TODO * Fix for formatter issues! * Alpha numeric fix * add checks for expected meta_data columns Co-authored-by: GregJohnson <YoungKrug@users.noreply.github.com> * reorganize article to explain the example function sooner * remove notes * test coverage is 100 % for all main scripts * reduce size of example metabpscape df - no more CMD note * fix order of articles on website --------- Co-authored-by: Allison R Mason <31289802+amason30@users.noreply.github.com> Co-authored-by: amason30 <masonar@umich.edu> Co-authored-by: GregJohnson <YoungKrug@users.noreply.github.com> * Fix for Ubuntu failing test. * does adding project help? * Update pkgdown.yaml most recent example with quarto added * add project file * change qmd to rmd for pkgdown github actions website * Fix for r-cmd checks * Set mimimum R depend for base pipe * Update r.yml * Added a new lintr workflow * Update lintr.yml * Linted, styled the package! * Lintr (#16) * lint and style R dir - need to fix complexity error * lint and style raw data scripts - no errors * update name to snakecase * update manual pages after lint and styling * Fix small typos in filters documentation * Test have been linted! * Revert "Merge branch 'lintr' of https://github.com/SchlossLab/mpactR into lintr" This reverts commit 83e6f3e7c636c9e6254c396842d7e724958662a9, reversing changes made to 318927f66ed22048a57b3555c26b3a0a8a4073f5. * fix typos in articles an lint/style * add back typo fixes in filters documentation * fix character limit lintr issue * add an informative error message a filter has already been applied to input data object * add a designated reference semantics article * add copy_object explaination in filters details * fixed code to resolve knitting error * Fix for cyclomatic complexity. * Add in chemistry documentation suggestions * We don't recommend setting bounds to account for 0's in the table * add expanded section for R6 specifics * Link filter article on main page * be consistent with '.' in documentation * Fix typos and add in suggestions * allow https url for data input --------- Co-authored-by: YoungKrug <31873199+YoungKrug@users.noreply.github.com> --------- Co-authored-by: GregJohnson <31873199+YoungKrug@users.noreply.github.com> Co-authored-by: GregJohnson <YoungKrug@users.noreply.github.com> * remove quarto articles * add filter article with original mpact dataset * remove numeric name requirement and add informative message for group summary * check passed_ions as well, not failed_ions twice * use original mpact data for filter article * update readme with me article link --------- Co-authored-by: GregJohnson <31873199+YoungKrug@users.noreply.github.com> Co-authored-by: GregJohnson <YoungKrug@users.noreply.github.com> * Hot fixes (#20) * Squashed commit of the following: commit cb2fed761b2b92336b585aec7a8a984249a9cbc9 Author: Allison R Mason <31289802+amason30@users.noreply.github.com> Date: Thu Aug 8 13:13:46 2024 -0400 Release articles (#19) * Add functionality from PR 16 (#17) * Created RMD check full for our R package. * Create test-coverage.yml * Create lintr.yml * Release articles (#10) * set up filter article * add basic readme - consider adding background from original program manual * design logo? * switch article to quarto * add functionality for extracting a single filter summary * add check for technical replicates * add documentation for filter_summary * convert prints to cli and add checks for filter functions * add functionality to return a data.table of similar ions for mispicked workflow * add full draft filter article * update vignette builder * add usethis use_articles created .gitignore * initalize website with pkgdown * Relase bug fixes (#8) (#9) * Added functionality for multiple group filters. * Copy functionality added! * Custom print statement added! * RCMD check works! * Fixed incorrect summary after differnt filter runs Co-authored-by: GregJohnson <31873199+YoungKrug@users.noreply.github.com> * fix typo to pass RCMD * fix partial group match warning in tests * remove non-exported function documentation * remove non-exported function documentation * add formatted website * demostrate copy and print functionality * add functionality to extract group averages table) * show step by step tree map * update text * return peak table, not a print of peak table * add accessor for cv values, error if cv filter has not been run failing * update accessor names * fix cv accessor test fail by changing name * fix typos * store raw peak table * remove man pages after changing names * set print inside class * Modified the constructor to allow for data.frames and data.tables to be passed through. * get_group_averages should return group averages of the filtered table at any stage * update variable names to be inclusive of data frame as input * add cv plot * show cv plot of cv filtered data only * format cv threshold plot for the article * add option for merging method, all tests pass * Add new method parameter to documentation * Require users to choose a cv_threshold * add new accessors to website * update roxygen version * create an example dataset that has both solvent and media blanks to show filtering both * Add in new example dataset, update filters, and show mutliple group filters * add downstream analysis article * add get_cv_data reference * add articles ignore * figure out how to order articles - does not work * update todo --------- Co-authored-by: GregJohnson <31873199+YoungKrug@users.noreply.github.com> Co-authored-by: GregJohnson <YoungKrug@users.noreply.github.com> * fix documentation errors in R CMD - check and all tests pass * ensure articles build * add vignette builder * Revert "fix documentation errors in R CMD - check and all tests pass" This reverts commit f40cd276f43874162d8cbad9d251ab7221afd422. * changes to pass check * fix documentation warnings * no vignettes to build * add line ending to fix incomplete line warning * explain reference semantics sooner to introduce copy_object * run site through github actions * add in website formatting * see if quarto dependency fixes pkgdown namespace error * add quarto depends to website only * removing quarto from suggets cuases error in assigning vignetter builder * Update pkgdown.yaml add quarto to actions * add lines to solve endline error * Update DESCRIPTION * Update pkgdown.yaml, removed white spaces * load library, not load_all * Update _pkgdown.yml * article packages to website needs * Update pkgdown.yaml * dont use vignette builder - render as html * Create pkgdown_quarto.yml * run with default build_site * Update pkgdown_quarto.yml * Update pkgdown_quarto.yml * Update pkgdown_quarto.yml * Update pkgdown_quarto.yml * Update pkgdown_quarto.yml * go back to quarto vignette * Pkgdown Fixes (#12) * Created RMD check full for our R package. * Create test-coverage.yml * Create lintr.yml * explain reference semantics sooner to introduce copy_object * run site through github actions * add in website formatting * see if quarto dependency fixes pkgdown namespace error * add quarto depends to website only * removing quarto from suggets cuases error in assigning vignetter builder * Update pkgdown.yaml add quarto to actions * add lines to solve endline error * Update DESCRIPTION * Update pkgdown.yaml, removed white spaces * load library, not load_all * Update _pkgdown.yml * article packages to website needs * Update pkgdown.yaml * dont use vignette builder - render as html * Create pkgdown_quarto.yml * run with default build_site * Update pkgdown_quarto.yml * Update pkgdown_quarto.yml * Update pkgdown_quarto.yml * Update pkgdown_quarto.yml * Update pkgdown_quarto.yml * go back to quarto vignette --------- Co-authored-by: Allison R Mason <31289802+amason30@users.noreply.github.com> Co-authored-by: amason30 <masonar@umich.edu> * Prep for release (#14) * Created RMD check full for our R package. * Create test-coverage.yml * Create lintr.yml * explain reference semantics sooner to introduce copy_object * run site through github actions * add in website formatting * see if quarto dependency fixes pkgdown namespace error * add quarto depends to website only * removing quarto from suggets cuases error in assigning vignetter builder * Update pkgdown.yaml add quarto to actions * add lines to solve endline error * Update DESCRIPTION * Update pkgdown.yaml, removed white spaces * load library, not load_all * Update _pkgdown.yml * article packages to website needs * Update pkgdown.yaml * dont use vignette builder - render as html * Create pkgdown_quarto.yml * run with default build_site * Update pkgdown_quarto.yml * Update pkgdown_quarto.yml * Update pkgdown_quarto.yml * Update pkgdown_quarto.yml * Update pkgdown_quarto.yml * go back to quarto vignette * update todo * start formatter functions for mpactr class construction - tests pass, need to add to the import and constructor functions and test * Allow users to submit feature tables exported from different tools - need to fix global bindings warning for formatter script Co-authored-by: GregJohnson <YoungKrug@users.noreply.github.com> * update TODO * Fix for formatter issues! * Alpha numeric fix * add checks for expected meta_data columns Co-authored-by: GregJohnson <YoungKrug@users.noreply.github.com> * reorganize article to explain the example function sooner * remove notes * test coverage is 100 % for all main scripts * reduce size of example metabpscape df - no more CMD note * fix order of articles on website --------- Co-authored-by: Allison R Mason <31289802+amason30@users.noreply.github.com> Co-authored-by: amason30 <masonar@umich.edu> Co-authored-by: GregJohnson <YoungKrug@users.noreply.github.com> * Fix for Ubuntu failing test. * does adding project help? * Update pkgdown.yaml most recent example with quarto added * add project file * change qmd to rmd for pkgdown github actions website * Fix for r-cmd checks * Set mimimum R depend for base pipe * Update r.yml * Added a new lintr workflow * Update lintr.yml * Linted, styled the package! * Lintr (#16) * lint and style R dir - need to fix complexity error * lint and style raw data scripts - no errors * update name to snakecase * update manual pages after lint and styling * Fix small typos in filters documentation * Test have been linted! * Revert "Merge branch 'lintr' of https://github.com/SchlossLab/mpactR into lintr" This reverts commit 83e6f3e7c636c9e6254c396842d7e724958662a9, reversing changes made to 318927f66ed22048a57b3555c26b3a0a8a4073f5. * fix typos in articles an lint/style * add back typo fixes in filters documentation * fix character limit lintr issue * add an informative error message a filter has already been applied to input data object * add a designated reference semantics article * add copy_object explaination in filters details * fixed code to resolve knitting error * Fix for cyclomatic complexity. * Add in chemistry documentation suggestions * We don't recommend setting bounds to account for 0's in the table * add expanded section for R6 specifics * Link filter article on main page * be consistent with '.' in documentation * Fix typos and add in suggestions * allow https url for data input --------- Co-authored-by: YoungKrug <31873199+YoungKrug@users.noreply.github.com> --------- Co-authored-by: GregJohnson <31873199+YoungKrug@users.noreply.github.com> Co-authored-by: GregJohnson <YoungKrug@users.noreply.github.com> * remove quarto articles * add filter article with original mpact dataset * remove numeric name requirement and add informative message for group summary * check passed_ions as well, not failed_ions twice * use original mpact data for filter article * update readme with me article link --------- Co-authored-by: GregJohnson <31873199+YoungKrug@users.noreply.github.com> Co-authored-by: GregJohnson <YoungKrug@users.noreply.github.com> * Fix for examples, and fixing lintr issues. * Fixed failed test issues. * Fixes to cli issue and lintr problems --------- Co-authored-by: YoungKrug <31873199+YoungKrug@users.noreply.github.com> * Hot fixes (#21) * Squashed commit of the following: commit cb2fed761b2b92336b585aec7a8a984249a9cbc9 Author: Allison R Mason <31289802+amason30@users.noreply.github.com> Date: Thu Aug 8 13:13:46 2024 -0400 Release articles (#19) * Add functionality from PR 16 (#17) * Created RMD check full for our R package. * Create test-coverage.yml * Create lintr.yml * Release articles (#10) * set up filter article * add basic readme - consider adding background from original program manual * design logo? * switch article to quarto * add functionality for extracting a single filter summary * add check for technical replicates * add documentation for filter_summary * convert prints to cli and add checks for filter functions * add functionality to return a data.table of similar ions for mispicked workflow * add full draft filter article * update vignette builder * add usethis use_articles created .gitignore * initalize website with pkgdown * Relase bug fixes (#8) (#9) * Added functionality for multiple group filters. * Copy functionality added! * Custom print statement added! * RCMD check works! * Fixed incorrect summary after differnt filter runs Co-authored-by: GregJohnson <31873199+YoungKrug@users.noreply.github.com> * fix typo to pass RCMD * fix partial group match warning in tests * remove non-exported function documentation * remove non-exported function documentation * add formatted website * demostrate copy and print functionality * add functionality to extract group averages table) * show step by step tree map * update text * return peak table, not a print of peak table * add accessor for cv values, error if cv filter has not been run failing * update accessor names * fix cv accessor test fail by changing name * fix typos * store raw peak table * remove man pages after changing names * set print inside class * Modified the constructor to allow for data.frames and data.tables to be passed through. * get_group_averages should return group averages of the filtered table at any stage * update variable names to be inclusive of data frame as input * add cv plot * show cv plot of cv filtered data only * format cv threshold plot for the article * add option for merging method, all tests pass * Add new method parameter to documentation * Require users to choose a cv_threshold * add new accessors to website * update roxygen version * create an example dataset that has both solvent and media blanks to show filtering both * Add in new example dataset, update filters, and show mutliple group filters * add downstream analysis article * add get_cv_data reference * add articles ignore * figure out how to order articles - does not work * update todo --------- Co-authored-by: GregJohnson <31873199+YoungKrug@users.noreply.github.com> Co-authored-by: GregJohnson <YoungKrug@users.noreply.github.com> * fix documentation errors in R CMD - check and all tests pass * ensure articles build * add vignette builder * Revert "fix documentation errors in R CMD - check and all tests pass" This reverts commit f40cd276f43874162d8cbad9d251ab7221afd422. * changes to pass check * fix documentation warnings * no vignettes to build * add line ending to fix incomplete line warning * explain reference semantics sooner to introduce copy_object * run site through github actions * add in website formatting * see if quarto dependency fixes pkgdown namespace error * add quarto depends to website only * removing quarto from suggets cuases error in assigning vignetter builder * Update pkgdown.yaml add quarto to actions * add lines to solve endline error * Update DESCRIPTION * Update pkgdown.yaml, removed white spaces * load library, not load_all * Update _pkgdown.yml * article packages to website needs * Update pkgdown.yaml * dont use vignette builder - render as html * Create pkgdown_quarto.yml * run with default build_site * Update pkgdown_quarto.yml * Update pkgdown_quarto.yml * Update pkgdown_quarto.yml * Update pkgdown_quarto.yml * Update pkgdown_quarto.yml * go back to quarto vignette * Pkgdown Fixes (#12) * Created RMD check full for our R package. * Create test-coverage.yml * Create lintr.yml * explain reference semantics sooner to introduce copy_object * run site through github actions * add in website formatting * see if quarto dependency fixes pkgdown namespace error * add quarto depends to website only * removing quarto from suggets cuases error in assigning vignetter builder * Update pkgdown.yaml add quarto to actions * add lines to solve endline error * Update DESCRIPTION * Update pkgdown.yaml, removed white spaces * load library, not load_all * Update _pkgdown.yml * article packages to website needs * Update pkgdown.yaml * dont use vignette builder - render as html * Create pkgdown_quarto.yml * run with default build_site * Update pkgdown_quarto.yml * Update pkgdown_quarto.yml * Update pkgdown_quarto.yml * Update pkgdown_quarto.yml * Update pkgdown_quarto.yml * go back to quarto vignette --------- Co-authored-by: Allison R Mason <31289802+amason30@users.noreply.github.com> Co-authored-by: amason30 <masonar@umich.edu> * Prep for release (#14) * Created RMD check full for our R package. * Create test-coverage.yml * Create lintr.yml * explain reference semantics sooner to introduce copy_object * run site through github actions * add in website formatting * see if quarto dependency fixes pkgdown namespace error * add quarto depends to website only * removing quarto from suggets cuases error in assigning vignetter builder * Update pkgdown.yaml add quarto to actions * add lines to solve endline error * Update DESCRIPTION * Update pkgdown.yaml, removed white spaces * load library, not load_all * Update _pkgdown.yml * article packages to website needs * Update pkgdown.yaml * dont use vignette builder - render as html * Create pkgdown_quarto.yml * run with default build_site * Update pkgdown_quarto.yml * Update pkgdown_quarto.yml * Update pkgdown_quarto.yml * Update pkgdown_quarto.yml * Update pkgdown_quarto.yml * go back to quarto vignette * update todo * start formatter functions for mpactr class construction - tests pass, need to add to the import and constructor functions and test * Allow users to submit feature tables exported from different tools - need to fix global bindings warning for formatter script Co-authored-by: GregJohnson <YoungKrug@users.noreply.github.com> * update TODO * Fix for formatter issues! * Alpha numeric fix * add checks for expected meta_data columns Co-authored-by: GregJohnson <YoungKrug@users.noreply.github.com> * reorganize article to explain the example function sooner * remove notes * test coverage is 100 % for all main scripts * reduce size of example metabpscape df - no more CMD note * fix order of articles on website --------- Co-authored-by: Allison R Mason <31289802+amason30@users.noreply.github.com> Co-authored-by: amason30 <masonar@umich.edu> Co-authored-by: GregJohnson <YoungKrug@users.noreply.github.com> * Fix for Ubuntu failing test. * does adding project help? * Update pkgdown.yaml most recent example with quarto added * add project file * change qmd to rmd for pkgdown github actions website * Fix for r-cmd checks * Set mimimum R depend for base pipe * Update r.yml * Added a new lintr workflow * Update lintr.yml * Linted, styled the package! * Lintr (#16) * lint and style R dir - need to fix complexity error * lint and style raw data scripts - no errors * update name to snakecase * update manual pages after lint and styling * Fix small typos in filters documentation * Test have been linted! * Revert "Merge branch 'lintr' of https://github.com/SchlossLab/mpactR into lintr" This reverts commit 83e6f3e7c636c9e6254c396842d7e724958662a9, reversing changes made to 318927f66ed22048a57b3555c26b3a0a8a4073f5. * fix typos in articles an lint/style * add back typo fixes in filters documentation * fix character limit lintr issue * add an informative error message a filter has already been applied to input data object * add a designated reference semantics article * add copy_object explaination in filters details * fixed code to resolve knitting error * Fix for cyclomatic complexity. * Add in chemistry documentation suggestions * We don't recommend setting bounds to account for 0's in the table * add expanded section for R6 specifics * Link filter article on main page * be consistent with '.' in documentation * Fix typos and add in suggestions * allow https url for data input --------- Co-authored-by: YoungKrug <31873199+YoungKrug@users.noreply.github.com> --------- Co-authored-by: GregJohnson <31873199+YoungKrug@users.noreply.github.com> Co-authored-by: GregJohnson <YoungKrug@users.noreply.github.com> * remove quarto articles * add filter article with original mpact dataset * remove numeric name requirement and add informative message for group summary * check passed_ions as well, not failed_ions twice * use original mpact data for filter article * update readme with me article link --------- Co-authored-by: GregJohnson <31873199+YoungKrug@users.noreply.github.com> Co-authored-by: GregJohnson <YoungKrug@users.noreply.github.com> * Fix for examples, and fixing lintr issues. * Fixed failed test issues. * Fixes to cli issue and lintr problems * lintr and pkgdown errors fixed --------- Co-authored-by: amason30 <masonar@umich.edu> Co-authored-by: Allison R Mason <31289802+amason30@users.noreply.github.com> * fix pkgdown error for library call Co-authored-by: GregJohnson <YoungKrug@users.noreply.github.com> * fix pkgdown error to library call * fix pkgdown error for library call * Squashed commit of the following: commit c356c4c222378b1544b94714b8a7921a5f61e0af Author: GregJohnson <31873199+YoungKrug@users.noreply.github.com> Date: Thu Aug 8 17:16:42 2024 -0400 Update test-coverage.yml commit 66b9cc0b29ca42d5bbef9930714cbd75bb886f16 Author: YoungKrug <31873199+YoungKrug@users.noreply.github.com> Date: Thu Aug 8 16:52:48 2024 -0400 Fix for codecov commit cbb82daf1844fd5938fc98648f7cec125f3a3085 Author: YoungKrug <31873199+YoungKrug@users.noreply.github.com> Date: Thu Aug 8 16:43:34 2024 -0400 Removal of Quarto release and updates to test_coverage. commit 428dc87a68615c8f3e4a53e49d2cf75e120bde52 Author: GregJohnson <31873199+YoungKrug@users.noreply.github.com> Date: Thu Aug 8 15:57:37 2024 -0400 Dev (#18) * set up filter article * add basic readme - consider adding background from original program manual * design logo? * switch article to quarto * add functionality for extracting a single filter summary * add check for technical replicates * add documentation for filter_summary * convert prints to cli and add checks for filter functions * add functionality to return a data.table of similar ions for mispicked workflow * add full draft filter article * update vignette builder * add usethis use_articles created .gitignore * initalize website with pkgdown * Relase bug fixes (#8) (#9) * Added functionality for multiple group filters. * Copy functionality added! * Custom print statement added! * RCMD check works! * Fixed incorrect summary after differnt filter runs Co-authored-by: GregJohnson <31873199+YoungKrug@users.noreply.github.com> * fix typo to pass RCMD * fix partial group match warning in tests * remove non-exported function documentation * remove non-exported function documentation * add formatted website * demostrate copy and print functionality * add functionality to extract group averages table) * show step by step tree map * update text * return peak table, not a print of peak table * add accessor for cv values, error if cv filter has not been run failing * update accessor names * fix cv accessor test fail by changing name * fix typos * store raw peak table * remove man pages after changing names * set print inside class * Modified the constructor to allow for data.frames and data.tables to be passed through. * get_group_averages should return group averages of the filtered table at any stage * update variable names to be inclusive of data frame as input * add cv plot * show cv plot of cv filtered data only * format cv threshold plot for the article * add option for merging method, all tests pass * Add new method parameter to documentation * Require users to choose a cv_threshold * add new accessors to website * update roxygen version * create an example dataset that has both solvent and media blanks to show filtering both * Add in new example dataset, update filters, and show mutliple group filters * add downstream analysis article * add get_cv_data reference * add articles ignore * figure out how to order articles - does not work * update todo * Lintr (#16) * lint and style R dir - need to fix complexity error * lint and style raw data scripts - no errors * update name to snakecase * update manual pages after lint and styling * Fix small typos in filters documentation * Test have been linted! * Revert "Merge branch 'lintr' of https://github.com/SchlossLab/mpactR into lintr" This reverts commit 83e6f3e7c636c9e6254c396842d7e724958662a9, reversing changes made to 318927f66ed22048a57b3555c26b3a0a8a4073f5. * fix typos in articles an lint/style * add back typo fixes in filters documentation * fix character limit lintr issue * add an informative error message a filter has already been applied to input data object * add a designated reference semantics article * add copy_object explaination in filters details * fixed code to resolve knitting error * Fix for cyclomatic complexity. * Add in chemistry documentation suggestions * We don't recommend setting bounds to account for 0's in the table * add expanded section for R6 specifics * Link filter article on main page * be consistent with '.' in documentation * Fix typos and add in suggestions * allow https url for data input --------- Co-authored-by: YoungKrug <31873199+YoungKrug@users.noreply.github.com> * Release articles (#19) * Add functionality from PR 16 (#17) * Created RMD check full for our R package. * Create test-coverage.yml * Create lintr.yml * Release articles (#10) * set up filter article * add basic readme - consider adding background from original program manual * design logo? * switch article to quarto * add functionality for extracting a single filter summary * add check for technical replicates * add documentation for filter_summary * convert prints to cli and add checks for filter functions * add functionality to return a data.table of similar ions for mispicked workflow * add full draft filter article * update vignette builder * add usethis use_articles created .gitignore * initalize website with pkgdown * Relase bug fixes (#8) (#9) * Added functionality for multiple group filters. * Copy functionality added! * Custom print statement added! * RCMD check works! * Fixed incorrect summary after differnt filter runs Co-authored-by: GregJohnson <31873199+YoungKrug@users.noreply.github.com> * fix typo to pass RCMD * fix partial group match warning in tests * remove non-exported function documentation * remove non-exported function documentation * add formatted website * demostrate copy and print functionality * add functionality to extract group averages table) * show step by step tree map * update text * return peak table, not a print of peak table * add accessor for cv values, error if cv filter has not been run failing * update accessor names * fix cv accessor test fail by changing name * fix typos * store raw peak table * remove man pages after changing names * set print inside class * Modified the constructor to allow for data.frames and data.tables to be passed through. * get_group_averages should return group averages of the filtered table at any stage * update variable names to be inclusive of data frame as input * add cv plot * show cv plot of cv filtered data only * format cv threshold plot for the article * add option for merging method, all tests pass * Add new method parameter to documentation * Require users to choose a cv_threshold * add new accessors to website * update roxygen version * create an example dataset that has both solvent and media blanks to show filtering both * Add in new example dataset, update filters, and show mutliple group filters * add downstream analysis article * add get_cv_data reference * add articles ignore * figure out how to order articles - does not work * update todo --------- Co-authored-by: GregJohnson <31873199+YoungKrug@users.noreply.github.com> Co-authored-by: GregJohnson <YoungKrug@users.noreply.github.com> * fix documentation errors in R CMD - check and all tests pass * ensure articles build * add vignette builder * Revert "fix documentation errors in R CMD - check and all tests pass" This reverts commit f40cd276f43874162d8cbad9d251ab7221afd422. * changes to pass check * fix documentation warnings * no vignettes to build * add line ending to fix incomplete line warning * explain reference semantics sooner to introduce copy_object * run site through github actions * add in website formatting * see if quarto dependency fixes pkgdown namespace error * add quarto depends to website only * removing quarto from suggets cuases error in assigning vignetter builder * Update pkgdown.yaml add quarto to actions * add lines to solve endline error * Update DESCRIPTION * Update pkgdown.yaml, removed white spaces * load library, not load_all * Update _pkgdown.yml * article packages to website needs * Update pkgdown.yaml * dont use vignette builder - render as html * Create pkgdown_quarto.yml * run with default build_site * Update pkgdown_quarto.yml * Update pkgdown_quarto.yml * Update pkgdown_quarto.yml * Update pkgdown_quarto.yml * Update pkgdown_quarto.yml * go back to quarto vignette * Pkgdown Fixes (#12) * Created RMD check full for our R package. * Create test-coverage.yml * Create lintr.yml * explain reference semantics sooner to introduce copy_object * run site through github actions * add in website formatting * see if quarto dependency fixes pkgdown namespace error * add quarto depends to website only * removing quarto from suggets cuases error in assigning vignetter builder * Update pkgdown.yaml add quarto to actions * add lines to solve endline error * Update DESCRIPTION * Update pkgdown.yaml, removed white spaces * load library, not load_all * Update _pkgdown.yml * article packages to website needs * Update pkgdown.yaml * dont use vignette builder - render as html * Create pkgdown_quarto.yml * run with default build_site * Update pkgdown_quarto.yml * Update pkgdown_quarto.yml * Update pkgdown_quarto.yml * Update pkgdown_quarto.yml * Update pkgdown_quarto.yml * go back to quarto vignette --------- Co-authored-by: Allison R Mason <31289802+amason30@users.noreply.github.com> Co-authored-by: amason30 <masonar@umich.edu> * Prep for release (#14) * Created RMD check full for our R package. * Create test-coverage.yml * Create lintr.yml * explain reference semantics sooner to introduce copy_object * run site through github actions * add in website formatting * see if quarto dependency fixes pkgdown namespace error * add quarto depends to website only * removing quarto from suggets cuases error in assigning vignetter builder * Update pkgdown.yaml add quarto to actions * add lines to solve endline error * Update DESCRIPTION * Update pkgdown.yaml, removed white spaces * load library, not load_all * Update _pkgdown.yml * article packages to website needs * Update pkgdown.yaml * dont use vignette builder - render as html * Create pkgdown_quarto.yml * run with default build_site * Update pkgdown_quarto.yml * Update pkgdown_quarto.yml * Update pkgdown_quarto.yml * Update pkgdown_quarto.yml * Update pkgdown_quarto.yml * go back to quarto vignette * update todo * start formatter functions for mpactr class construction - tests pass, need to add to the import and constructor functions and test * Allow users to submit feature tables exported from different tools - need to fix global bindings warning for formatter script Co-authored-by: GregJohnson <YoungKrug@users.noreply.github.com> * update TODO * Fix for formatter issues! * Alpha numeric fix * add checks for expected meta_data columns Co-authored-by: GregJohnson <YoungKrug@users.noreply.github.com> * reorganize article to explain the example function sooner * remove notes * test coverage is 100 % for all main scripts * reduce size of example metabpscape df - no more CMD note * fix order of articles on website --------- Co-authored-by: Allison R Mason <31289802+amason30@users.noreply.github.com> Co-authored-by: amason30 <masonar@umich.edu> Co-authored-by: GregJohnson <YoungKrug@users.noreply.github.com> * Fix for Ubuntu failing test. * does adding project help? * Update pkgdown.yaml most recent example with quarto added * add project file * change qmd to rmd for pkgdown github actions website * Fix for r-cmd checks * Set mimimum R depend for base pipe * Update r.yml * Added a new lintr workflow * Update lintr.yml * Linted, styled the package! * Lintr (#16) * lint and style R dir - need to fix complexity error * lint and style raw data scripts - no errors * update name to snakecase * update manual pages after lint and styling * Fix small typos in filters documentation * Test have been linted! * Revert "Merge branch 'lintr' of https://github.com/SchlossLab/mpactR into lintr" This reverts commit 83e6f3e7c636c9e6254c396842d7e724958662a9, reversing changes made to 318927f66ed22048a57b3555c26b3a0a8a4073f5. * fix typos in articles an lint/style * add back typo fixes in filters documentation * fix character limit lintr issue * add an informative error message a filter has already been applied to input data object * add a designated reference semantics article * add copy_object explaination in filters details * fixed code to resolve knitting error * Fix for cyclomatic complexity. * Add in chemistry documentation suggestions * We don't recommend setting bounds to account for 0's in the table * add expanded section for R6 specifics * Link filter article on main page * be consistent with '.' in documentation * Fix typos and add in suggestions * allow https url for data input --------- Co-authored-by: YoungKrug <31873199+YoungKrug@users.noreply.github.com> --------- Co-authored-by: GregJohnson <31873199+YoungKrug@users.noreply.github.com> Co-authored-by: GregJohnson <YoungKrug@users.noreply.github.com> * remove quarto articles * add filter article with original mpact dataset * remove numeric name requirement and add informative message for group summary * check passed_ions as well, not failed_ions twice * use original mpact data for filter article * update readme with me article link --------- Co-authored-by: GregJohnson <31873199+YoungKrug@users.noreply.github.com> Co-authored-by: GregJohnson <YoungKrug@users.noreply.github.com> * Hot fixes (#20) * Squashed commit of the following: commit cb2fed761b2b92336b585aec7a8a984249a9cbc9 Author: Allison R Mason <31289802+amason30@users.noreply.github.com> Date: Thu Aug 8 13:13:46 2024 -0400 Release articles (#19) * Add functionality from PR 16 (#17) * Created RMD check full for our R package. * Create test-coverage.yml * Create lintr.yml * Release articles (#10) * set up filter article * add basic readme - consider adding background from original program manual * design logo? * switch article to quarto * add functionality for extracting a single filter summary * add check for technical replicates * add documentation for filter_summary * convert prints to cli and add checks for filter functions * add functionality to return a data.table of similar ions for mispicked workflow * add full draft filter article * update vignette builder * add usethis use_articles created .gitignore * initalize website with pkgdown * Relase bug fixes (#8) (#9) * Added functionality for multiple group filters. * Copy functionality added! * Custom print statement added! * RCMD check works! * Fixed incorrect summary after differnt filter runs Co-authored-by: GregJohnson <31873199+YoungKrug@users.noreply.github.com> * fix typo to pass RCMD * fix partial group match warning in tests * remove non-exported function documentation * remove non-exported function documentation * add formatted website * demostrate copy and print functionality * add functionality to extract group averages table) * show step by step tree map * update text * return peak table, not a print of peak table * add accessor for cv values, error if cv filter has not been run failing * update accessor names * fix cv accessor test fail by changing name * fix typos * store raw peak table * remove man pages after changing names * set print inside class * Modified the constructor to allow for data.frames and data.tables to be passed through. * get_group_averages should return group averages of the filtered table at any stage * update variable names to be inclusive of data frame as input * add cv plot * show cv plot of cv filtered data only * format cv threshold plot for the article * add option for merging method, all tests pass * Add new method parameter to documentation * Require users to choose a cv_threshold * add new accessors to website * update roxygen version * create an example dataset that has both solvent and media blanks to show filtering both * Add in new example dataset, update filters, and show mutliple group filters * add downstream analysis article * add get_cv_data reference * add articles ignore * figure out how to order articles - does not work * update todo --------- Co-authored-by: GregJohnson <31873199+YoungKrug@users.noreply.github.com> Co-authored-by: GregJohnson <YoungKrug@users.noreply.github.com> * fix documentation errors in R CMD - check and all tests pass * ensure articles build * add vignette builder * Revert "fix documentation errors in R CMD - check and all tests pass" This reverts commit f40cd276f43874162d8cbad9d251ab7221afd422. * changes to pass check * fix documentation warnings * no vignettes to build * add line ending to fix incomplete line warning * explain reference semantics sooner to introduce copy_object * run site through github actions * add in website formatting * see if quarto dependency fixes pkgdown namespace error * add quarto depends to website only * removing quarto from suggets cuases error in assigning vignetter builder * Update pkgdown.yaml add quarto to actions * add lines to solve endline error * Update DESCRIPTION * Update pkgdown.yaml, removed white spaces * load library, not load_all * Update _pkgdown.yml * article packages to website needs * Update pkgdown.yaml * dont use vignette builder - render as html * Create pkgdown_quarto.yml * run with default build_site * Update pkgdown_quarto.yml * Update pkgdown_quarto.yml * Update pkgdown_quarto.yml * Update pkgdown_quarto.yml * Update pkgdown_quarto.yml * go back to quarto vignette * Pkgdown Fixes (#12) * Created RMD check full for our R package. * Create test-coverage.yml * Create lintr.yml * explain reference semantics sooner to introduce copy_object * run site through github actions * add in website formatting * see if quarto dependency fixes pkgdown namespace error * add quarto depends to website only * removing quarto from suggets cuases error in assigning vignetter builder * Update pkgdown.yaml add quarto to actions * add lines to solve endline error * Update DESCRIPTION * Update pkgdown.yaml, removed white spaces * load library, not load_all * Update _pkgdown.yml * article packages to website needs * Update pkgdown.yaml * dont use vignette builder - render as html * Create pkgdown_quarto.yml * run with default build_site * Update pkgdown_quarto.yml * Update pkgdown_quarto.yml * Update pkgdown_quarto.yml * Update pkgdown_quarto.yml * Update pkgdown_quarto.yml * go back to quarto vignette --------- Co-authored-by: Allison R Mason <31289802+amason30@users.noreply.github.com> Co-authored-by: amason30 <masonar@umich.edu> * Prep for release (#14) * Created RMD check full for our R package. * Create test-coverage.yml * Create lintr.yml * explain reference semantics sooner to introduce copy_object * run site through github actions * add in website formatting * see if quarto dependency fixes pkgdown namespace error * add quarto depends to website only * removing quarto from suggets cuases error in assigning vignetter builder * Update pkgdown.yaml add quarto to actions * add lines to solve endline error * Update DESCRIPTION * Update pkgdown.yaml, removed white spaces * load library, not load_all * Update _pkgdown.yml * article packages to website needs * Update pkgdown.yaml * dont use vignette builder - render as html * Create pkgdown_quarto.yml * run with default build_site * Update pkgdown_quarto.yml * Update pkgdown_quarto.yml * Update pkgdown_quarto.yml * Update pkgdown_quarto.yml * Update pkgdown_quarto.yml * go back to quarto vignette * update todo * start formatter functions for mpactr class construction - tests pass, need to add to the import and constructor functions and test * Allow users to submit feature tables exported from different tools - need to fix global bindings warning for formatter script Co-authored-by: GregJohnson <YoungKrug@users.noreply.github.com> * update TODO * Fix for formatter issues! * Alpha numeric fix * add checks for expected meta_data columns Co-authored-by: GregJohnson <YoungKrug@users.noreply.github.com> * reorganize article to explain the example function sooner * remove notes * test coverage is 100 % for all main scripts * reduce size of example metabpscape df - no more CMD note * fix order of articles on website --------- Co-authored-by: Allison R Mason <31289802+amason30@users.noreply.github.com> Co-authored-by: amason30 <masonar@umich.edu> Co-authored-by: GregJohnson <YoungKrug@users.noreply.github.com> * Fix for Ubuntu failing test. * does adding project help? * Update pkgdown.yaml most recent example with quarto added * add project file * change qmd to rmd for pkgdown github actions website * Fix for r-cmd checks * Set mimimum R depend for base pipe * Update r.yml * Added a new lintr workflow * Update lintr.yml * Linted, styled the package! * Lintr (#16) * lint and style R dir - need to fix complexity error * lint and style raw data scripts - no errors * update name to snakecase * update manual pages after lint and styling * Fix small typos in filters documentation * Test have been linted! * Revert "Merge branch 'lintr' of https://github.com/SchlossLab/mpactR into lintr" This reverts commit 83e6f3e7c636c9e6254c396842d7e724958662a9, reversing changes made to 318927f66ed22048a57b3555c26b3a0a8a4073f5. * fix typos in articles an lint/style * add back typo fixes in filters documentation * fix character limit lintr issue * add an informative error message a filter has already been applied to input data object * add a designated reference semantics article * add copy_object explaination in filters details * fixed code to resolve knitting error * Fix for cyclomatic complexity. * Add in chemistry documentation suggestions * We don't recommend setting bounds to account for 0's in the table * add expanded section for R6 specifics * Link filter article on main page * be consistent with '.' in documentation * Fix typos and add in suggestions * allow https url for data input --------- Co-authored-by: YoungKrug <31873199+YoungKrug@users.noreply.github.com> --------- Co-authored-by: GregJohnson <31873199+YoungKrug@users.noreply.github.com> Co-authored-by: GregJohnson <YoungKrug@users.noreply.github.com> * remove quarto articles * add filter article with original mpact dataset * remove numeric name requirement and add informative message for group summary * check passed_ions as well, not failed_ions twice * use original mpact data for filter article * update readme with me article …

* Add cpp function for removing dups * Renamed main source file and added to build ignore

…rrectly named.

* Using the if(NA) works, but we need to remove NA's before they get to the cpp side * adding nomatch to the data.table join function has appeared to fix the bug #43 * Removing unneeded data. * Fix for unique_compound test

… function. Also added a test for it.

…es cpp function.

amason30 and others added 30 commits June 13, 2024 12:24

set up filter article

391d464

add basic readme - consider adding background from original program m…

e09a54c

…anual

design logo?

0fbc557

switch article to quarto

0e8fe92

add functionality for extracting a single filter summary

6c2ca5a

add check for technical replicates

b4c6f5d

add documentation for filter_summary

cd8f9a9

convert prints to cli and add checks for filter functions

13fb069

add functionality to return a data.table of similar ions for mispicke…

8d0f7da

…d workflow

add full draft filter article

587779d

update vignette builder

6ab2eaf

add usethis use_articles created .gitignore

0a1f599

initalize website with pkgdown

bbd3e02

Relase bug fixes (#8) (#9)

ba0cda9

* Added functionality for multiple group filters. * Copy functionality added! * Custom print statement added! * RCMD check works! * Fixed incorrect summary after differnt filter runs Co-authored-by: GregJohnson <31873199+YoungKrug@users.noreply.github.com>

Fix merge conflicts

198083f

Co-authored-by: GregJohnson <YoungKrug@users.noreply.github.com>

fix typo to pass RCMD

7cdd230

fix partial group match warning in tests

28f0a8c

remove non-exported function documentation

1947963

remove non-exported function documentation

649ab19

add formatted website

1f7243a

demostrate copy and print functionality

d4aaeb2

add functionality to extract group averages table)

d178860

show step by step tree map

87518b3

update text

04a4f38

return peak table, not a print of peak table

5353a05

add accessor for cv values, error if cv filter has not been run failing

cf78738

update accessor names

e0c8f89

fix cv accessor test fail by changing name

d111796

fix typos

52e480f

store raw peak table

b66d158

GregJohnsonJr and others added 25 commits March 12, 2025 15:59

Added dependencies of R to fix github actions

06909f4

Fixing paths for .lintr

17aa35f

Removing .lintr from the build ignore

142e5bc

Lets try and change the gitub action workflow, lintr is not using the…

cf6b1ab

… .lintr file

Misspelled jobs in workflow script

c0c495b

Should now lint with defaults, and changed the rbuildignore to includ…

f46e8e9

…e the .lintr.

Changing directory to lint package

0153e88

Going to debug inside of the action

df65d89

Should be the fix for our lintr issues. It seems there was a discrepa…

655a909

…ncy of lintr between my version and ubuntu's.

Fixing lintr issues

5cc41e7

renaming cpp file and adding my orcid id

73d667c

Changing the license to gpl-3 since we are now using Rcpp.

128427d

Merge branch 'main' into dev

f9b07fb

Merge branch 'main' into dev

1867826

Optimize compound duplication (#41)

8ddce54

* Add cpp function for removing dups * Renamed main source file and added to build ignore

Changing the RemoveDuplicates named to UniqueDuplicates to be more co…

61d0b23

…rrectly named.

Peak table formatter bug (#44)

1301b22

* Using the if(NA) works, but we need to remove NA's before they get to the cpp side * adding nomatch to the data.table join function has appeared to fix the bug #43 * Removing unneeded data. * Fix for unique_compound test

Remove the NA check from cpp and added it into the unique_compounds R…

0c0f970

… function. Also added a test for it.

Using a const reference instead of a const copy in the UniqueDuplicat…

66d6f84

…es cpp function.

Merge branch 'main' into dev

4646fb3

Fixed lintr and organized test in test-import_data.R

0fe86f2

Merge branch 'main' into dev

707dca3

Modifications to documentation for release

a11e522

Increment version number to 0.2.1

907bd74

GregJohnsonJr added documentation Improvements or additions to documentation release labels Mar 28, 2025

GregJohnsonJr self-assigned this Mar 28, 2025

GregJohnsonJr merged commit 31660f2 into main Mar 28, 2025
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GregJohnsonJr linked an issue Apr 1, 2025 that may be closed by this pull request

mpactr 0.2.1 #46

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Release Polish#48

Release Polish#48
GregJohnsonJr merged 113 commits intomainfrom
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GregJohnsonJr commented Mar 28, 2025

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