def wavenumber_to_temp(wavenumber,
units_in='cm-1',
return_quantity=False,
units_out='K'):
"""Converts wavenumbers (1/cm) to temperatures (K)
Parameters
----------
wavenumber : float
Wavenumber
units_in : str, optional
Units corresponding to ``wavenumber``. Default is 'cm-1'.
return_quantity: bool, optional
If True, returns :class:`~vunits.quantity.Quantity`. Otherwise,
returns float.
units_out : str, optional
Units corresponding to ``temp``. Default is 'K'.
Returns
-------
temperature : float or :class:`~vunits.quantity.Quantity` obj
Temperature corresponding to ``units_out``.
"""
wavenumber_in = _force_get_quantity(obj=wavenumber, units=units_in)
qty_out = wavenumber_in * c.c * c.h / c.kb
return _return_quantity(quantity=qty_out,
return_quantity=return_quantity,
units_out=units_out)
def wavenumber_to_freq(wavenumber,
units_in='cm-1',
return_quantity=False,
units_out='Hz'):
"""Converts wavenumber to frequency
Parameters
----------
wavenumber : float
Wavenumber
units_in : str, optional
Units corresponding to ``wavenumber``. Default is 'cm-1'.
return_quantity: bool, optional
If True, returns :class:`~vunits.quantity.Quantity`. Otherwise,
returns float.
units_out : str, optional
Units corresponding to ``freq``. Default is 'Hz'.
Returns
-------
freq : float or :class:`~vunits.quantity.Quantity` obj
Frequency corresponding to ``units_out``.
"""
wavenumber_in = _force_get_quantity(obj=wavenumber, units=units_in)
qty_out = wavenumber_in * c.c
return _return_quantity(quantity=qty_out,
return_quantity=return_quantity,
units_out=units_out)
def wavenumber_to_inertia(wavenumber,
units_in='cm-1',
return_quantity=False,
units_out='kg m2'):
"""Converts wavenumber (1/cm) to moment of inertia
Parameters
----------
wavenumber : float
Wavenumber
units_in : str, optional
Units corresponding to ``wavenumber``. Default is 'cm-1'.
return_quantity: bool, optional
If True, returns :class:`~vunits.quantity.Quantity`. Otherwise,
returns float.
units_out : str, optional
Units corresponding to ``inertia``. Default is 'kg m2'.
Returns
-------
mu : float or :class:`~vunits.quantity.Quantity` obj
Moment of inertia corresponding to ``units_out``.
"""
wavenumber_in = _force_get_quantity(obj=wavenumber, units=units_in)
qty_out = c.h / (8. * np.pi**2 * wavenumber_in * c.c)
return _return_quantity(quantity=qty_out,
return_quantity=return_quantity,
units_out=units_out)
def temp_to_wavenumber(temp,
units_in='K',
return_quantity=False,
units_out='cm-1'):
"""Converts vibrational/rotational temperature to wavenumber
Parameters
----------
temp : float
Temperature in K
units_in : str, optional
Units corresponding to ``temp``. Default is 'K'.
return_quantity: bool, optional
If True, returns :class:`~vunits.quantity.Quantity`. Otherwise,
returns float.
units_out : str, optional
Units corresponding to ``wavenumber``. Default is 'cm-1'.
Returns
-------
wavenumber : float or :class:`~vunits.quantity.Quantity` obj
Wavenumber corresponding to ``units_out``.
"""
temp_in = _force_get_quantity(obj=temp, units=units_in)
qty_out = temp_in * c.kb / c.c / c.h
return _return_quantity(quantity=qty_out,
return_quantity=return_quantity,
units_out=units_out)
def wavenumber_to_energy(wavenumber,
units_in='cm-1',
return_quantity=False,
units_out='J'):
"""Converts wavenumbers to energies
Parameters
----------
wavenumber : float
Wavenumber
units_in : str, optional
Units corresponding to ``wavenumber``. Default is '1/cm'.
return_quantity: bool, optional
If True, returns :class:`~vunits.quantity.Quantity`. Otherwise,
returns float.
units_out : str, optional
Units corresponding to ``energy``. Default is 'J'.
Returns
-------
energy : float or :class:`~vunits.quantity.Quantity` obj
Energy corresponding to ``units_out``.
"""
wavenumber_in = _force_get_quantity(obj=wavenumber, units=units_in)
qty_out = wavenumber_in * c.c * c.h
return _return_quantity(quantity=qty_out,
return_quantity=return_quantity,
units_out=units_out)
def inertia_to_temp(inertia,
units_in='kg m2',
return_quantity=False,
units_out='K'):
"""Converts moment of inertia into rotational temperature
Parameters
----------
inertia : float
Moment of inertia
units_in : str, optional
Units corresponding to ``inertia``. Default is 'kg m2'.
return_quantity: bool, optional
If True, returns :class:`~vunits.quantity.Quantity`. Otherwise,
returns float.
units_out : str, optional
Units corresponding to ``temp``. Default is 'K'.
Returns
-------
rot_temperature : float or :class:`~vunits.quantity.Quantity` obj
Rotational temperature corresponding to ``units_out``.
"""
inertia_in = _force_get_quantity(obj=inertia, units=units_in)
qty_out = c.h_bar**2 / 2. / c.kb / inertia_in
return _return_quantity(quantity=qty_out,
return_quantity=return_quantity,
units_out=units_out)
def energy_to_wavenumber(energy,
units_in='J',
return_quantity=False,
units_out='cm-1'):
"""Converts energy to wavenumber
Parameters
----------
energy : float
Energy
units_in : str, optional
Units corresponding to ``energy``. Default is 'J'.
return_quantity: bool, optional
If True, returns :class:`~vunits.quantity.Quantity`. Otherwise,
returns float.
units_out : str, optional
Units corresponding to ``wavenumber``. Default is 'cm-1'.
Returns
-------
wavenumber : float or :class:`~vunits.quantity.Quantity` obj
Wavenumber corresponding to ``units_out``.
"""
energy_in = _force_get_quantity(obj=energy, units=units_in)
qty_out = energy_in / c.h / c.c
return _return_quantity(quantity=qty_out,
return_quantity=return_quantity,
units_out=units_out)
def freq_to_wavenumber(freq,
units_in='Hz',
return_quantity=False,
units_out='cm-1'):
"""Converts frequency to wavenumber
Parameters
----------
freq : float
Frequency
units_in : str, optional
Units corresponding to ``freq``. Default is 'Hz'.
return_quantity: bool, optional
If True, returns :class:`~vunits.quantity.Quantity`. Otherwise,
returns float.
units_out : str, optional
Units corresponding to ``wavenumber``. Default is 'cm-1'.
Returns
-------
wavenumber : float or :class:`~vunits.quantity.Quantity` obj
Wavenumber corresponding to ``units_out``.
"""
freq_in = _force_get_quantity(obj=freq, units=units_in)
qty_out = freq_in / c.c
return _return_quantity(quantity=qty_out,
return_quantity=return_quantity,
units_out=units_out)
def energy_to_freq(energy,
units_in='J',
return_quantity=False,
units_out='Hz'):
"""Converts energy to frequency
Parameters
----------
energy : float or :class:`~vunits.quantity.Quantity` obj
Energy
units_in : str, optional
Units corresponding to ``energy``. Default is 'J'.
return_quantity: bool, optional
If True, returns :class:`~vunits.quantity.Quantity`. Otherwise,
returns float.
units_out : str, optional
Units corresponding to ``freq``. Default is 'Hz'.
Returns
-------
freq : float or :class:`~vunits.quantity.Quantity` obj
Frequency corresponding to ``units_out``.
"""
energy_in = _force_get_quantity(obj=energy, units=units_in)
qty_out = energy_in / c.h
return _return_quantity(quantity=qty_out,
return_quantity=return_quantity,
units_out=units_out)
def temp_to_freq(temp, units_in='K', return_quantity=False, units_out='Hz'):
"""Converts temperature to frequency
Parameters
----------
temp : float
Temperature in K
units_in : str, optional
Units corresponding to ``temp``. Default is 'K'.
return_quantity: bool, optional
If True, returns :class:`~vunits.quantity.Quantity`. Otherwise,
returns float.
units_out : str, optional
Units corresponding to ``freq``. Default is 'Hz'.
Returns
-------
freq : float or :class:`~vunits.quantity.Quantity` obj
Frequency corresponding to ``units_out``.
"""
temp_in = _force_get_quantity(obj=temp, units=units_in)
qty_out = temp_in * c.kb / c.h
return _return_quantity(quantity=qty_out,
return_quantity=return_quantity,
units_out=units_out)
def freq_to_temp(freq, units_in='Hz', return_quantity=False, units_out='K'):
"""Converts frequency to temperature
Parameters
----------
freq : float
Frequency
units_in : str, optional
Units corresponding to ``freq``. Default is 'Hz'.
return_quantity: bool, optional
If True, returns :class:`~vunits.quantity.Quantity`. Otherwise,
returns float.
units_out : str, optional
Units corresponding to ``temp``. Default is 'K'.
Returns
-------
temp : float or :class:`~vunits.quantity.Quantity` obj
Temperature corresponding to ``units_out``.
"""
freq_in = _force_get_quantity(obj=freq, units=units_in)
qty_out = freq_in * c.h / c.kb
return _return_quantity(quantity=qty_out,
return_quantity=return_quantity,
units_out=units_out)
def freq_to_energy(freq, units_in='Hz', return_quantity=False, units_out='J'):
"""Converts frequency to energy
Parameters
----------
freq : float
Frequency
units_in : str, optional
Units corresponding to ``energy``. Default is 'Hz'.
return_quantity: bool, optional
If True, returns :class:`~vunits.quantity.Quantity`. Otherwise,
returns float.
units_out : str, optional
Units corresponding to ``energy``. Default is 'J'.
Returns
-------
energy : float or :class:`~vunits.quantity.Quantity` obj
Energy corresponding to ``units_out``.
"""
freq_in = _force_get_quantity(obj=freq, units=units_in)
qty_out = freq_in * c.h
return _return_quantity(quantity=qty_out,
return_quantity=return_quantity,
units_out=units_out)
def energy_to_temp(energy, units_in='J', return_quantity=False, units_out='K'):
"""Converts energy to temperature
Parameters
----------
energy : float
Energy
units_in : str, optional
Units corresponding to ``energy``. Default is 'J'.
return_quantity: bool, optional
If True, returns :class:`~vunits.quantity.Quantity`. Otherwise,
returns float.
units_out : str, optional
Units corresponding to ``temp``. Default is 'K'.
Returns
-------
temp : float or :class:`~vunits.quantity.Quantity` obj
Temperature corresponding to ``units_out``.
"""
energy_in = _force_get_quantity(obj=energy, units=units_in)
qty_out = energy_in / c.kb
return _return_quantity(quantity=qty_out,
return_quantity=return_quantity,
units_out=units_out)
def test_return_quantity(self):
vel1 = Quantity(mag=10., m=1., s=-1.)
self.assertEqual(_return_quantity(vel1, True), vel1)
self.assertEqual(_return_quantity(vel1, False, 'm/s'), vel1.mag)
self.assertEqual(_return_quantity(vel1, False, 'cm/s'), vel1.mag*100.)
