molsysmt.form.networkx_Graph package#

Submodules#

molsysmt.form.networkx_Graph.add module#

molsysmt.form.networkx_Graph.add.add(to_item, item, atom_indices='all', skip_digestion=False)[source]#

molsysmt.form.networkx_Graph.append_structures module#

molsysmt.form.networkx_Graph.append_structures.append_structures(item, structure_id=None, time=None, coordinates=None, box=None, skip_digestion=False)[source]#

molsysmt.form.networkx_Graph.attributes module#

molsysmt.form.networkx_Graph.copy module#

molsysmt.form.networkx_Graph.copy.copy(item, skip_digestion=False)[source]#

molsysmt.form.networkx_Graph.extract module#

molsysmt.form.networkx_Graph.extract.extract(item, atom_indices='all', structure_indices='all', copy_if_all=True, skip_digestion=False)[source]#

molsysmt.form.networkx_Graph.get module#

molsysmt.form.networkx_Graph.has_attribute module#

molsysmt.form.networkx_Graph.has_attribute.has_attribute(molecular_system, attribute, include_none=False, skip_digestion=False)[source]#

molsysmt.form.networkx_Graph.is_form module#

molsysmt.form.networkx_Graph.is_form.is_form(item)[source]#

molsysmt.form.networkx_Graph.iterators module#

class molsysmt.form.networkx_Graph.iterators.TopologyIterator(molecular_system)[source]#

Bases: object

molsysmt.form.networkx_Graph.merge module#

molsysmt.form.networkx_Graph.merge.merge(items, atom_indices='all', skip_digestion=False)[source]#

molsysmt.form.networkx_Graph.set module#

molsysmt.form.networkx_Graph.to_networkx_Graph module#

molsysmt.form.networkx_Graph.to_networkx_Graph.to_networkx_Graph(item, atom_indices='all', structure_indices='all', copy_if_all=True, skip_digestion=False)[source]#

Module contents#