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

__add__(other)

Addition operator.

__delattr__

Implement delattr(self, name).

__dir__

Default dir() implementation.

__eq__(other)

Equals to operator.

__format__

Default object formatter.

__ge__(other)

Greater than or equal to operator.

__getattribute__

Return getattr(self, name).

__gt__(other)

Gretear than operator.

__init__(*args)

Constructor.

__init_subclass__

This method is called when a class is subclassed.

__le__(other)

Less than or equal to operator.

__lt__(other)

Less than operator.

__mul__(other)

Multiplication operator.

__ne__(other)

Not equals to operator.

__neg__()

Unary - operator.

__new__

Create and return a new object.

__pos__()

Unary + operator.

__reduce__

Helper for pickle.

__reduce_ex__

Helper for pickle.

__repr__()

Return a human readable string representation of the object.

__rmul__(other)

Multiplication operator.

__setattr__

Implement setattr(self, name, value).

__sizeof__

Size of object in memory, in bytes.

__str__()

Return a human readable string representation of the object.

__sub__(other)

Subtraction operator.

__subclasshook__

Abstract classes can override this to customize issubclass().

__truediv__(other)

Division operator.

_convert_to(unit)

Return the energy in a different unit.

_default_unit([mag])

Internal method to return an object of the same type in the default unit.

_from_string(string)

Convert a string to an object of the same type.

_validate_unit(unit)

Validate that the unit are supported.

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.

Attributes

__dict__

__doc__

__hash__

__module__

__weakref__

list of weak references to the object (if defined)

_abbreviations

_doc_strings

_null_unit

_print_format

_supported_units

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