Reference ABCMolecule ABCMolecule.add_coords

ABCMolecule.add_coords

add_coords(molecule, axis, absorbent_reference, surface_reference, dist, inplace=False)

Add a new Molecule object to the current ABCMolecule object very precisely.

Parameters:

• molecule (ABCMolecule or XYZMolecule) –

  Molecule object to add to the current ABCMolecule object.

• axis ("{0 or 'x', 1 or 'y', 2 or 'z'}") –

  Placement of new molecule will be in direction of axis.

• absorbent_reference ("{'Top' or 'Centroid' or 'Origin' or 'Bottom' or CoordType}") –

  Reference on argument 'molecule' where the distance is measured.

• surface_reference ("{'Top' or 'Centroid' or 'Bottom' or 'Most postive Sp' or 'Most negative Sp' or CoordType}") –

  Reference on current molecule object where the distance is measured.

• dist (float) –

  sign of float determines what direction the new molecule is placed.

• inplace (bool, default: False ) –

  If True, perform operation in-place.

Returns:

• ABCMolecule –

  ABCMolecule object with new atoms added.