diff --git a/modules/mol/base/doc/editors.rst b/modules/mol/base/doc/editors.rst index 4d272dd561c285de3e69f1ff296da8660d2bd7af..497cff0fdb84e2c438bbde686c91e4304c024106 100644 --- a/modules/mol/base/doc/editors.rst +++ b/modules/mol/base/doc/editors.rst @@ -358,12 +358,7 @@ The basic functionality of editors is implemented in the EditorBase class. :type atom2: :class:`AtomHandle` :param bond_order: bond order (e.g. 1=single, 2=double, 3=triple) :type bond_order: :class:`int` - -BondHandle (EditorBase::*connect_b)(const AtomHandle&, const AtomHandle&, - Real, Real, Real)=&EditorBase::Connect; -BondHandle (EditorBase::*connect_d)(const AtomHandle&, const AtomHandle&, - Real, Real, Real, - unsigned char)=&EditorBase::Connect; + Editor for the External Coordinate System -------------------------------------------------------------------------------- @@ -419,107 +414,38 @@ Euclidian space. Force spatial organizer and ICS update workaround for delayed editor call from Python garbage collection .. method:: SetAtomPos(atom, pos) + SetAtomPos(atom_list, pos_list) + SetAtomTransformedPos(atom, pos) + SetAtomTransformedPos(atom_list, pos_list) - Set the (transformed) position of atom. This method will also update the + Set the transformed position of atoms. This method will also update the original position of the atom by applying the inverse of the entity transform. - :param atom: must be a valid atom handle + :param atom: A valid atom handle :type atom: :class:`ost.mol.AtomHandle` + :param atom_list: A valid atom handle + :type atom_list: :class:`ost.mol.AtomHandleList` :param pos: The new position :type pos: :class:`~ost.geom.Vec3` - - .. method:: SetAtomPos(atom, pos) - - Set the (transformed) position of atom. This method will also update the - original position of the atom by applying the inverse of the entity - transform. - - :param atom_list: must be a valid atom handle list - :type atom_list: :class:`ost.mol.AtomHandleList` - :param pos_list: a numpy array of floats having a length of 3*atom_list.size() - :type pos_list: numpy array - - .. method:: SetAtomPos(atom, pos) - - Set the (transformed) position of atom. This method will also update the - original position of the atom by applying the inverse of the entity - transform. - - :param atom_list: must be a valid atom handle list - :type atom_list: :class:`ost.mol.AtomHandleList` - :param pos_list: a list of double having a length of 3*atom_list.size() - :type pos_list: list + :param pos_list: An array or a list of 3*atom_list.size() floats + :type pos_list: :class:`numpy.array` or :class:`list` of :class:`float` .. method:: SetAtomOriginalPos(atom, pos) + SetAtomOriginalPos(atom_list, pos_list) - Set the original (untransformed) position of the atom. This method will + Set the original (untransformed) position of atoms. This method will also update the transformed position by applying the entity transform to the original pos. - :param atom: must be a valid atom handle + :param atom: A valid atom handle :type atom: :class:`ost.mol.AtomHandle` - :param pos: The new untransformed position - :type pos: :class:`~ost.geom.Vec3` - - - .. method:: SetAtomOriginalPos(atom_list, pos_list) - - Set the original (untransformed) position of the atoms in the given list. This method will - also update the transformed position by applying the entity transform to - the original pos. - - :param atom_list: must be a valid atom handle list + :param atom_list: A valid atom handle :type atom_list: :class:`ost.mol.AtomHandleList` - :param pos_list: a list of double having a length of 3*atom_list.size() - :type pos_list: list - - .. method:: SetAtomOriginalPos(atom_list, pos_list) - - Set the original (untransformed) position of the atoms in the given list. This method will - also update the transformed position by applying the entity transform to - the original pos. - - :param atom_list: must be a valid atom handle list - :type atom_list: :class:`ost.mol.AtomHandleList` - :param pos_list: a numpy array of floats having a length of 3*atom_list.size() - :type pos_list: numpy array - - - .. method:: SetAtomTransformedPos(atom, pos) - - Set the (transformed) position of atom. This method will also update the - original position of the atom by applying the inverse of the entity - transform. - - :param atom: must be a valid atom handle - :type atom: :class:`ost.mol.AtomHandle` - :param pos: The new position + :param pos: The new untransformed position :type pos: :class:`~ost.geom.Vec3` - - .. method:: SetAtomTransformedPos(atom_list, pos_list) - - Set the (transformed) position of atom. This method will also update the - original position of the atom by applying the inverse of the entity - transform. - - :param atom_list: must be a valid atom handle list - :type atom_list: :class:`ost.mol.AtomHandleList` - :param pos_list: a numpy array of floats having a length of 3*atom_list.size() - :type pos_list: numpy array - - .. method:: SetAtomTransformedPos(atom_list, pos_list) - - Set the (transformed) position of atom. This method will also update the - original position of the atom by applying the inverse of the entity - transform. - - :param atom_list: must be a valid atom handle list - :type atom_list: :class:`ost.mol.AtomHandleList` - :param pos_list: a list of double having a length of 3*atom_list.size() - :type pos_list: list - - + :param pos_list: An array or a list of 3*atom_list.size() floats + :type pos_list: :class:`numpy.array` or :class:`list` of :class:`float` Editor for the Internal Coordinate System