def values(zma, angstrom=False, degree=False):
""" coordinate values, by coordinate name
"""
vma, val_dct = zma
# post-processing for unit convertions
dist_names = _v_.distance_names(vma)
ang_names = _v_.angle_names(vma)
orig_val_dct = val_dct
val_dct = {}
for name, val in orig_val_dct.items():
if angstrom and name in dist_names:
val *= qcc.conversion_factor('bohr', 'angstrom')
if degree and name in ang_names:
val *= qcc.conversion_factor('radian', 'degree')
val_dct[name] = val
return val_dct
def angle_names(zma):
""" angle coordinate names (dihedral and central)
"""
return _v_.angle_names(var_(zma))