peleffy.template.impact.WritableWrapper¶

class peleffy.template.impact.WritableWrapper[source]¶

Wrapper class for writable parameters.

__init__()¶: Initialize self. See help(type(self)) for accurate signature.

static dummy_to_writable(f)[source]¶

It converts a returned DummyAtom to a WritableAtom.

Parameters: f (function) – The function to apply the decorator to
Returns: out – A WritableAtom object
Return type: WritableAtom

static in_angstrom(f)[source]¶

It expresses a simtk.unit.Quantity in angstroms.

Parameters: f (function) – The function to apply the decorator to
Returns: out – simtk.unit.Quantity expressed in angstroms
Return type: float

static in_deg(f)[source]¶

It expresses a simtk.unit.Quantity in degrees.

Parameters: f (function) – The function to apply the decorator to
Returns: out – simtk.unit.Quantity expressed in degrees
Return type: float

static in_elementarycharge(f)[source]¶

It expresses a simtk.unit.Quantity in elementary charges.

Parameters: f (function) – The function to apply the decorator to
Returns: out – simtk.unit.Quantity expressed in elementary charges
Return type: float

static in_kcal_angstrom2mol(f)[source]¶

It expresses a simtk.unit.Quantity in kcal/angstrom2mol.

Parameters: f (function) – The function to apply the decorator to
Returns: out – simtk.unit.Quantity expressed in kcal/angstrom2mol
Return type: float

static in_kcal_rad2mol(f)[source]¶

It expresses a simtk.unit.Quantity in kcal/rad2mol.

Parameters: f (function) – The function to apply the decorator to
Returns: out – simtk.unit.Quantity expressed in kcal/rad2mol
Return type: float

static in_kcalmol(f)[source]¶

It expresses a simtk.unit.Quantity in kcal/mol.

Parameters: f (function) – The function to apply the decorator to
Returns: out – simtk.unit.Quantity expressed in kcal/mol
Return type: float

static none_to_dummy(f)[source]¶

It converts a returned None to a DummyAtom.

Parameters: f (function) – The function to apply the decorator to
Returns: out – A DummyAtom object
Return type: DummyAtom

static none_to_zero(f)[source]¶

It converts a returned None to zero.

Parameters: f (function) – The function to apply the decorator to
Returns: out – It is set to zero in case that it is None
Return type: function’s output