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Issue 1395 gro resid truncate#1396

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orbeckst merged 4 commits intodevelopfrom
issue-1395-gro_resid_truncate
Jun 13, 2017
Merged

Issue 1395 gro resid truncate#1396
orbeckst merged 4 commits intodevelopfrom
issue-1395-gro_resid_truncate

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@richardjgowers
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Fixes #1395

Changes made in this Pull Request:

  • add lib.util.ltruncate_int
  • made ascii coordinate writers use ltruncate_int

PR Checklist

  • Tests?you know why the cron job on master
  • Docs?
  • CHANGELOG updated?
  • Issue raised/referenced?

Removed TestCase usage
@richardjgowers richardjgowers added this to the 0.16.x milestone Jun 13, 2017
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@orbeckst orbeckst left a comment

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lgtm

u.residues[0].resid = 123456789
u.atoms.write('out.gro')

with open('out.gro', 'r') as inf:
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inf is not a very good variable name, it looks like np.inf. Why not gro?

@orbeckst
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The job exceeded the maximum time limit for jobs, and has been terminated.

Not so good... what is taking time (also happened on #1398 )

@orbeckst orbeckst self-assigned this Jun 13, 2017
@orbeckst orbeckst force-pushed the issue-1395-gro_resid_truncate branch from 872b10e to abd205b Compare June 13, 2017 21:28
@orbeckst orbeckst merged commit 3e4a973 into develop Jun 13, 2017
@orbeckst orbeckst deleted the issue-1395-gro_resid_truncate branch June 13, 2017 21:29
@orbeckst orbeckst mentioned this pull request Jun 21, 2017
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2 participants