From 6d99a966c3f19826c1b07d4440c4350c81293d47 Mon Sep 17 00:00:00 2001 From: Jinzhe Zeng Date: Wed, 23 Aug 2023 16:19:12 -0400 Subject: [PATCH 1/2] feat: dp test all data Previously, we need to set `numb_test` to a quite large number to test all data. In this PR, passing 0 will lead to infinity. Signed-off-by: Jinzhe Zeng --- deepmd/entrypoints/test.py | 5 ++++- deepmd_cli/main.py | 6 +++++- 2 files changed, 9 insertions(+), 2 deletions(-) diff --git a/deepmd/entrypoints/test.py b/deepmd/entrypoints/test.py index 182b5a6eba..e348318f41 100644 --- a/deepmd/entrypoints/test.py +++ b/deepmd/entrypoints/test.py @@ -71,7 +71,7 @@ def test( set_prefix : str string prefix of set numb_test : int - munber of tests to do + munber of tests to do. 0 means all data. rand_seed : Optional[int] seed for random generator shuffle_test : bool @@ -88,6 +88,9 @@ def test( RuntimeError if no valid system was found """ + if numb_test == 0: + # only float has inf, but should work for min + numb_test = float("inf") if datafile is not None: datalist = open(datafile) all_sys = datalist.read().splitlines() diff --git a/deepmd_cli/main.py b/deepmd_cli/main.py index f4c28887bd..5d9e9a9b90 100644 --- a/deepmd_cli/main.py +++ b/deepmd_cli/main.py @@ -274,7 +274,11 @@ def main_parser() -> argparse.ArgumentParser: "-S", "--set-prefix", default="set", type=str, help="The set prefix" ) parser_tst.add_argument( - "-n", "--numb-test", default=100, type=int, help="The number of data for test" + "-n", + "--numb-test", + default=100, + type=int, + help="The number of data for test. 0 means all data.", ) parser_tst.add_argument( "-r", "--rand-seed", type=int, default=None, help="The random seed" From 94e34797c127d03eeabe5dd89dc4916fa6b91859 Mon Sep 17 00:00:00 2001 From: Jinzhe Zeng Date: Thu, 24 Aug 2023 13:38:03 -0400 Subject: [PATCH 2/2] change the default value of `numb-test` to 0 Signed-off-by: Jinzhe Zeng --- deepmd_cli/main.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/deepmd_cli/main.py b/deepmd_cli/main.py index 5d9e9a9b90..19cee642cf 100644 --- a/deepmd_cli/main.py +++ b/deepmd_cli/main.py @@ -276,7 +276,7 @@ def main_parser() -> argparse.ArgumentParser: parser_tst.add_argument( "-n", "--numb-test", - default=100, + default=0, type=int, help="The number of data for test. 0 means all data.", )