ForceBalance API  1.3
Automated optimization of force fields and empirical potentials
List of all members | Public Member Functions | Public Attributes
src.custom_io.Gen_Reader Class Reference

Finite state machine for parsing custom GROMACS force field files. More...

Inheritance diagram for src.custom_io.Gen_Reader:
[legend]
Collaboration diagram for src.custom_io.Gen_Reader:
[legend]

Public Member Functions

def __init__ (self, fnm)
 
def feed (self, line)
 Feed in a line. More...
 

Public Attributes

 sec
 The current section that we're in. More...
 
 pdict
 The parameter dictionary (defined in this file) More...
 
 itype
 
 suffix
 

Detailed Description

Finite state machine for parsing custom GROMACS force field files.

This class is instantiated when we begin to read in a file. The feed(line) method updates the state of the machine, giving it information like the residue we're currently on, the nonbonded interaction type, and the section that we're in. Using this information we can look up the interaction type and parameter type for building the parameter ID.

Definition at line 41 of file custom_io.py.

Constructor & Destructor Documentation

◆ __init__()

def src.custom_io.Gen_Reader.__init__ (   self,
  fnm 
)

Definition at line 43 of file custom_io.py.

Member Function Documentation

◆ feed()

def src.custom_io.Gen_Reader.feed (   self,
  line 
)

Feed in a line.

Parameters
[in]lineThe line of data

Definition at line 57 of file custom_io.py.

Member Data Documentation

◆ itype

src.custom_io.Gen_Reader.itype

Definition at line 60 of file custom_io.py.

◆ pdict

src.custom_io.Gen_Reader.pdict

The parameter dictionary (defined in this file)

Definition at line 49 of file custom_io.py.

◆ sec

src.custom_io.Gen_Reader.sec

The current section that we're in.

Definition at line 47 of file custom_io.py.

◆ suffix

src.custom_io.Gen_Reader.suffix

Definition at line 79 of file custom_io.py.


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