def _core_set_variable(key: str, val: Union[core.Matrix, np.ndarray, float]) -> None: """Sets scalar or array QCVariable *key* to *val* in global memory.""" if isinstance(val, core.Matrix): if core.has_scalar_variable(key): raise ValidationError( f"psi4.core.set_variable: Target variable '{key}' already a scalar variable!" ) else: core.set_array_variable(key, val) elif isinstance(val, np.ndarray): if core.has_scalar_variable(key): raise ValidationError( f"psi4.core.set_variable: Target variable '{key}' already a scalar variable!" ) else: core.set_array_variable( key, core.Matrix.from_array(_qcvar_reshape_set(key, val))) else: if core.has_array_variable(key): raise ValidationError( f"psi4.core.set_variable: Target variable '{key}' already an array variable!" ) else: core.set_scalar_variable(key, val)
def _core_set_variable(key, val): if isinstance(val, core.Matrix): if core.has_scalar_variable(key): raise ValidationError("psi4.core.set_variable: Target variable " + key + " already a scalar variable!") else: core.set_array_variable(key, val) elif isinstance(val, np.ndarray): if core.has_scalar_variable(key): raise ValidationError("psi4.core.set_variable: Target variable " + key + " already a scalar variable!") else: core.set_array_variable(key, core.Matrix.from_array(val)) else: if core.has_array_variable(key): raise ValidationError("psi4.core.set_variable: Target variable " + key + " already an array variable!") else: core.set_scalar_variable(key, val)
def _core_set_variable(key, val): if isinstance(val, core.Matrix): if core.has_scalar_variable(key): raise ValidationError("psi4.core.set_variable: Target variable " + key + " already a scalar variable!") else: core.set_array_variable(key, val) elif isinstance(val, np.ndarray): if core.has_scalar_variable(key): raise ValidationError("psi4.core.set_variable: Target variable " + key + " already a scalar variable!") else: core.set_array_variable(key, core.Matrix.from_array(_qcvar_reshape_set(key, val))) else: if core.has_array_variable(key): raise ValidationError("psi4.core.set_variable: Target variable " + key + " already an array variable!") else: core.set_scalar_variable(key, val)