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pylammps: use library API to return available groups

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This commit is contained in:
Richard Berger
2023-06-11 23:19:20 -06:00
parent d7ecf41ff6
commit 64508e08aa
1 changed files with 1 additions and 13 deletions
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14
python/lammps/pylammps.py
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@ -686,9 +686,7 @@ class PyLammps(object):
:getter: Returns a list of atom groups that are currently active in this LAMMPS instance :getter: Returns a list of atom groups that are currently active in this LAMMPS instance
:type: list :type: list
""" """
output = self.lmp_info("groups") return self.lmp.available_ids("group")
output = output[output.index("Group information:")+1:]
return self._parse_groups(output)
@property @property
def variables(self): def variables(self):
@ -802,16 +800,6 @@ class PyLammps(object):
elements.append(element) elements.append(element)
return elements return elements
def _parse_groups(self, output):
groups = []
group_pattern = re.compile(r"(?P<name>.+) \((?P<type>.+)\)")
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): def lmp_print(self, s):
""" needed for Python2 compatibility, since print is a reserved keyword """ """ needed for Python2 compatibility, since print is a reserved keyword """
return self.__getattr__("print")(s) return self.__getattr__("print")(s)