ForceBalance API
1.3
Automated optimization of force fields and empirical potentials
|
Finite state machine for parsing custom GROMACS force field files. More...
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 | |
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.
def src.custom_io.Gen_Reader.__init__ | ( | self, | |
fnm | |||
) |
Definition at line 43 of file custom_io.py.
def src.custom_io.Gen_Reader.feed | ( | self, | |
line | |||
) |
src.custom_io.Gen_Reader.itype |
Definition at line 60 of file custom_io.py.
src.custom_io.Gen_Reader.pdict |
The parameter dictionary (defined in this file)
Definition at line 49 of file custom_io.py.
src.custom_io.Gen_Reader.sec |
The current section that we're in.
Definition at line 47 of file custom_io.py.
src.custom_io.Gen_Reader.suffix |
Definition at line 79 of file custom_io.py.