BioSimSpace.Types.Energy¶

class BioSimSpace.Types.Energy(*args)¶

An energy type.

__init__(*args)¶

Constructor.

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

Parameters

value (float) – The value.
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.
`angle`()	Return the power in the ‘angle’ dimension.
`charge`()	Return the power in the ‘charge’ dimension.
`dimensions`()	Return the dimensions of this type.
`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.
`length`()	Return the power in the ‘length’ dimension.
`mass`()	Return the power in the ‘mass’ dimension.
`quantity`()	Return the power in the ‘quantity’ dimension.
`temperature`()	Return the power in the ‘temperature’ dimension.
`time`()	Return the power in the ‘time’ dimension.
`unit`()	Return the unit.
`value`()	Return the value.

classmethod angle()¶

Return the power in the ‘angle’ dimension.

Returns: angle – The power in the ‘angle’ dimension.
Return type: int

classmethod charge()¶

Return the power in the ‘charge’ dimension.

Returns: charge – The power in the ‘charge’ dimension.
Return type: int

classmethod dimensions()¶

Return the dimensions of this type. This is a tuple containing the power in each dimension.

Returns(int, int, int, int, int, int): The power in each dimension: ‘angle’, ‘charge’, ‘length’, ‘mass’, ‘quantity’, ‘temperature’, and ‘time’.

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

classmethod length()¶

Return the power in the ‘length’ dimension.

Returns: length – The power in the ‘length’ dimension.
Return type: int

classmethod mass()¶

Return the power in the ‘mass’ dimension.

Returns: mass – The power in the ‘mass’ dimension.
Return type: int

classmethod quantity()¶

Return the power in the ‘quantity’ dimension.

Returns: quantity – The power in the ‘quantity’ dimension.
Return type: int

classmethod temperature()¶

Return the power in the ‘temperature’ dimension.

Returns: temperature – The power in the ‘temperature’ dimension.
Return type: int

classmethod time()¶

Return the power in the ‘time’ dimension.

Returns: time – The power the ‘time’ dimension.
Return type: int

unit()¶

Return the unit.

Returns: unit – The unit of the type.
Return type: str

value()¶

Return the value.

Returns: value – The value of the type.
Return type: float