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)