BioSimSpace.Types.Energy

class BioSimSpace.Types.Energy(*args)

An energy type.

__init__(*args)

Constructor.

*args can be a magnitude and unit, or a string representation of the energy, e.g. “78.4 kcal/mol”.

Parameters
  • magnitude (float) – The magnitude.

  • unit (str) – The unit.

  • string (str) – A string representation of the energy.

Examples

Create an object representing an energy of -1038 kilo calories per mol and print the energy in kilo joules per mol.

>>> import BioSimSpace as BSS
>>> energy = BSS.Types.Energy(-1038, "kcal/mol")
>>> print(energy.kj_per_mol())

The same as above, except passing a string representation of the energy to the constructor.

>>> import BioSimSpace as BSS
>>> energy = BSS.Types.Energy("-1038 kcal/mol")
>>> print(energy.kj_per_mol())

The string matching is extremeley flexible, so all of the following would be valid arguments: “-1038 kcal/mol”, “-1.038e3 kcal/mol”, “-1038 kilo cal per mol”.

Methods

__init__(*args)

Constructor.

kcal_per_mol()

Return the energy in kcal per mol.

kj_per_mol()

Return the energy in kJ per mol.

kt()

Return the energy in KT.

magnitude()

Return the magnitude.

unit()

Return the unit.

kcal_per_mol()

Return the energy in kcal per mol.

Returns

energy – The energy in kcal per mol.

Return type

Energy

kj_per_mol()

Return the energy in kJ per mol.

Returns

energy – The energy in kJ per mol.

Return type

Energy

kt()

Return the energy in KT.

Returns

energy – The energy in KT.

Return type

Energy

magnitude()

Return the magnitude.

Returns

magnitude – The magnitude of the type.

Return type

float

unit()

Return the unit.

Returns

unit – The unit of the type.

Return type

str