changed graph name to m_graph
@@ -79,7 +79,7 @@ class MigrationGraph(MSONable):
def __init__(
self,
structure: Structure,
- migration_graph: StructureGraph,
+ m_graph: StructureGraph,
symprec=0.1,
vac_mode=False,
):
@@ -93,14 +93,14 @@ class MigrationGraph(MSONable):
structure: Structure with base framework and mobile sites.
When used with structure_is_base = True, only the base framework
structure, does not contain any migrating sites.
- migration_graph: The StructureGraph object that defines the
+ m_graph: The StructureGraph object that defines the
migration network
symprec (float): Symmetry precision to determine equivalence
of migration events
vac_mode (Bool): indicates whether vacancy mode should be used
"""
self.structure = structure
- self.migration_graph = migration_graph
+ self.migration_graph = m_graph
self.symprec = symprec
self.vac_mode = vac_mode
if self.vac_mode:
@@ -363,7 +363,7 @@ class MigrationGraph(MSONable):
f"There are {len(self.unique_hops)} SC hops but {len(self.unique_hops)} UC hops in {self.__str__()}"
)
- # for u, v, k, d in self.migration_graph.graph.edges(data=True, keys=True):
+ # for u, v, k, d in self.m_graph.graph.edges(data=True, keys=True):
for u in self.migration_graph.graph.nodes():
# Create a copy of the graph so that we can trim the higher cost hops
path_graph = deepcopy(self.migration_graph.graph)
@@ -474,7 +474,7 @@ class ChargeBarrierGraph(MigrationGraph):
"""
self.potential_field = potential_field
self.potential_data_key = potential_data_key
- super().__init__(structure=structure, migration_graph=migration_graph, **kwargs)
+ super().__init__(structure=structure, m_graph=migration_graph, **kwargs)
self._setup_grids()
def _setup_grids(self):
