besmarts.assign namespace

Submodules

• besmarts.assign.hierarchy_assign_native module
  • smarts_hierarchy_assign()
  • smarts_hierarchy_assign_angles()
  • smarts_hierarchy_assign_atoms()
  • smarts_hierarchy_assign_bonds()
  • smarts_hierarchy_assign_outofplanes()
  • smarts_hierarchy_assign_structures()
  • smarts_hierarchy_assign_torsions()
  • smarts_hierarchy_assignment_native
    • smarts_hierarchy_assignment_native.assign()
    • smarts_hierarchy_assignment_native.assign_angles()
    • smarts_hierarchy_assignment_native.assign_atoms()
    • smarts_hierarchy_assignment_native.assign_bonds()
    • smarts_hierarchy_assignment_native.assign_impropers()
    • smarts_hierarchy_assignment_native.assign_torsions()
  • structure_hierarchy_assign()