¶ Xponge.tools.unittests.test_1_assign

This module includes unittests of the Xponge.Assign operators

¶ subpackages

¶ submodules

¶ functions

¶ test_get_assign

Test the functions to get assignment

¶ test_objective_assign_rule

test creating a new rule to assign the Xponge.AtomType of one atom

¶ test_residuetype_to_assign

test convert an Xponge.ResidueType to Xponge.Assign

¶ test_string_assign_rule

test creating a new rule to assign the string of one atom

¶ test_ring_system

test the basic functions the the helper class _RING

¶ test_atom_deletion

test the function to delete an atom from an Xponge.Assign

¶ test_bond_deletion

test the function to delete a bond from an Xponge.Assign

¶ test_equal_atom_search

test the function to find the equal atoms in a molecule

¶ test_atom_type_determination

test the function to find the atom type

¶ test_uff_optimization

test the optimization of the molecule using UFF

¶ test_saving

test the function to save a Xponge.assign