besmarts.assign namespace

Submodules

• besmarts.assign.hierarchy_assign_rdkit module
  • assign()
  • assign_angles()
  • assign_atoms()
  • assign_bonds()
  • assign_outofplanes()
  • assign_torsions()
  • make_rdmol()
  • smarts_hierarchy_assign()
  • smarts_hierarchy_assign_angles()
  • smarts_hierarchy_assign_atoms()
  • smarts_hierarchy_assign_bonds()
  • smarts_hierarchy_assign_ctx
    • smarts_hierarchy_assign_ctx.gcd
    • smarts_hierarchy_assign_ctx.hier
    • smarts_hierarchy_assign_ctx.topo
  • smarts_hierarchy_assign_outofplanes()
  • smarts_hierarchy_assign_smiles()
  • smarts_hierarchy_assign_torsions()
  • smarts_hierarchy_assignment_rdkit
    • smarts_hierarchy_assignment_rdkit.assign()
    • smarts_hierarchy_assignment_rdkit.assign_angles()
    • smarts_hierarchy_assignment_rdkit.assign_atoms()
    • smarts_hierarchy_assignment_rdkit.assign_bonds()
    • smarts_hierarchy_assignment_rdkit.assign_outofplanes()
    • smarts_hierarchy_assignment_rdkit.assign_torsions()