src.smirnoffio.SMIRNOFF_Reader Class Reference

Class for parsing OpenMM force field files. More...

Inheritance diagram for src.smirnoffio.SMIRNOFF_Reader:

Collaboration diagram for src.smirnoffio.SMIRNOFF_Reader:

Public Member Functions
def	__init__ (self, fnm)
def	build_pid (self, element, parameter)
	Build the parameter identifier (see link for an example) More...

Public Attributes
	pdict
	Initialize the superclass. More...

Detailed Description

Class for parsing OpenMM force field files.

Definition at line 117 of file smirnoffio.py.

Constructor & Destructor Documentation

__init__()

def src.smirnoffio.SMIRNOFF_Reader.__init__	(		self,
			fnm
	)

Definition at line 118 of file smirnoffio.py.

Member Function Documentation

build_pid()

def src.smirnoffio.SMIRNOFF_Reader.build_pid	(		self,
			element,
			parameter
	)

Build the parameter identifier (see link for an example)

Todo:

Add a link here

Definition at line 127 of file smirnoffio.py.

Member Data Documentation

pdict

src.smirnoffio.SMIRNOFF_Reader.pdict

Initialize the superclass.

:) The parameter dictionary (defined in this file)

Definition at line 122 of file smirnoffio.py.

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The documentation for this class was generated from the following file:

• smirnoffio.py