src.amberio.Mol2_Reader Class Reference

Finite state machine for parsing Mol2 force field file. More...

Inheritance diagram for src.amberio.Mol2_Reader:

Collaboration diagram for src.amberio.Mol2_Reader:

Public Member Functions
def	__init__ (self, fnm)
def	feed (self, line)

Public Attributes
	pdict
	The parameter dictionary (defined in this file) More...
	atom
	The atom numbers in the interaction (stored in the parser) More...
	atomnames
	The mol2 file provides a list of atom names. More...
	section
	The section that we're in. More...
	mol
	itype
	suffix
	molatom

Detailed Description

Finite state machine for parsing Mol2 force field file.

(just for parameterizing the charges)

Definition at line 500 of file amberio.py.

Constructor & Destructor Documentation

__init__()

def src.amberio.Mol2_Reader.__init__	(		self,
			fnm
	)

Definition at line 502 of file amberio.py.

Member Function Documentation

feed()

def src.amberio.Mol2_Reader.feed	(		self,
			line
	)

Definition at line 516 of file amberio.py.

Member Data Documentation

atom

src.amberio.Mol2_Reader.atom

The atom numbers in the interaction (stored in the parser)

Definition at line 508 of file amberio.py.

atomnames

src.amberio.Mol2_Reader.atomnames

The mol2 file provides a list of atom names.

Definition at line 510 of file amberio.py.

itype

src.amberio.Mol2_Reader.itype

Definition at line 521 of file amberio.py.

mol

src.amberio.Mol2_Reader.mol

Definition at line 514 of file amberio.py.

molatom

src.amberio.Mol2_Reader.molatom

Definition at line 552 of file amberio.py.

pdict

src.amberio.Mol2_Reader.pdict

The parameter dictionary (defined in this file)

Definition at line 506 of file amberio.py.

section

src.amberio.Mol2_Reader.section

The section that we're in.

Definition at line 512 of file amberio.py.

suffix

src.amberio.Mol2_Reader.suffix

Definition at line 550 of file amberio.py.

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

• amberio.py