From 64508e08aac5d6c73c0511fab4903603cd6d8da0 Mon Sep 17 00:00:00 2001 From: Richard Berger Date: Sun, 11 Jun 2023 23:19:20 -0600 Subject: [PATCH] pylammps: use library API to return available groups --- python/lammps/pylammps.py | 14 +------------- 1 file changed, 1 insertion(+), 13 deletions(-) diff --git a/python/lammps/pylammps.py b/python/lammps/pylammps.py index 7acdff658a..bdbed3e971 100644 --- a/python/lammps/pylammps.py +++ b/python/lammps/pylammps.py @@ -686,9 +686,7 @@ class PyLammps(object): :getter: Returns a list of atom groups that are currently active in this LAMMPS instance :type: list """ - output = self.lmp_info("groups") - output = output[output.index("Group information:")+1:] - return self._parse_groups(output) + return self.lmp.available_ids("group") @property def variables(self): @@ -802,16 +800,6 @@ class PyLammps(object): elements.append(element) return elements - def _parse_groups(self, output): - groups = [] - group_pattern = re.compile(r"(?P.+) \((?P.+)\)") - - for line in output: - m = group_pattern.match(line.split(':')[1].strip()) - group = {'name': m.group('name'), 'type': m.group('type')} - groups.append(group) - return groups - def lmp_print(self, s): """ needed for Python2 compatibility, since print is a reserved keyword """ return self.__getattr__("print")(s)