Commit 29412ac0 authored by Berk Onat's avatar Berk Onat

Fix none info for atom_labels in topology.

parent a455b285
Pipeline #26687 failed with stage
in 9 minutes and 23 seconds
......@@ -728,11 +728,11 @@ class GROMOSParser(SmartParser.ParserBase):
# need to transpose array since its shape is [number_of_atoms,3] in the metadata
if self.topology is not None:
atom_labels = self.topoDict["atom_element_list"]
numatoms = len(atom_labels)
self.numatoms
SloppyBackend.addArrayValues('atom_labels', np.asarray(atom_labels))
pass
if "atom_element_list" in self.topoDict:
atom_labels = self.topoDict["atom_element_list"]
numatoms = len(atom_labels)
self.numatoms
SloppyBackend.addArrayValues('atom_labels', np.asarray(atom_labels))
else:
if unit_vectors is not None:
unit_cell = np.asarray(self.metaStorage.convertUnits(
......
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