Keywords and Options

optking.optparams Module

Functions

int_float_list(inList[, Nint, Nfloat])

int_fx_string(inString[, Nint])

int_list(inList[, Nint])

int_xyz_float_list(inList[, Nint, Nxyz, Nfloat])

int_xyz_fx_string(inString[, Nint])

string_option(storage_name)

tokenize_input_string(inString)

params: string of integers corresponding to internal coordinates returns: a list of integers correspoding to an atom removes spaces or non integer characters from string of internal coordinates to be frozen

Classes

AlgError([mesg, newLinearBends])

OptError([mesg, err_type])

OptParams(uod)

Class Inheritance Diagram

Inheritance diagram of optking.optparams.OptParams