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Merge pull request #41 from pyscal/fix_vis
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Fix vis
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srmnitc authored Jun 20, 2024
2 parents 70aa5f7 + 4b754e6 commit ac984bd
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Showing 3 changed files with 11 additions and 2 deletions.
2 changes: 1 addition & 1 deletion .bumpversion.cfg
Original file line number Diff line number Diff line change
@@ -1,5 +1,5 @@
[bumpversion]
current_version = 3.2.1
current_version = 3.2.2
commit = True
tag = True

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2 changes: 1 addition & 1 deletion setup.py
Original file line number Diff line number Diff line change
Expand Up @@ -7,7 +7,7 @@

setup(
name='pyscal3',
version='3.2.1',
version='3.2.2',
author='Sarath Menon',
author_email='[email protected]',
description='Python library written in C++ for calculation of local atomic structural environment',
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9 changes: 9 additions & 0 deletions src/pyscal3/core.py
Original file line number Diff line number Diff line change
Expand Up @@ -181,10 +181,15 @@ def __init__(self, filename=None, format="lammps-dump",
self.box = box
self._atoms.from_dict(atoms)

self._refresh_internal_methods()


def _refresh_internal_methods(self):
#customised methods for the class
self.modify = AttrSetter()
self.modify.head = operations
mapdict = {}

#repeat methid
mapdict["repeat"] = update_wrapper(partial(operations.repeat, self), operations.repeat)
mapdict["transform_to_cubic_cell"] = update_wrapper(partial(operations.extract_cubic_representation, self), operations.extract_cubic_representation)
Expand Down Expand Up @@ -259,6 +264,10 @@ def __init__(self, filename=None, format="lammps-dump",
self.show._add_attribute(mapdict)


#def _repeat(self, *args, **kwargs):
# return operations.repeat(self, *args, **kwargs)
#_repeat.__doc__ = operations.repeat.__doc__

def iter_atoms(self):
return self.atoms.iter_atoms()

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