ForceBalance API  1.3
Automated optimization of force fields and empirical potentials
Namespaces | Functions | Variables
parser.py File Reference

Go to the source code of this file.

Namespaces

 src.parser
 
 forcebalance.parser
 Input file parser for ForceBalance jobs.
 

Functions

def src.parser.read_mvals (fobj)
 
def src.parser.read_pvals (fobj)
 
def src.parser.read_priors (fobj)
 
def src.parser.read_internals (fobj)
 
def src.parser.printsection (heading, optdict, typedict)
 Print out a section of the input file in a parser-compliant and readable format. More...
 
def src.parser.parse_inputs (input_file=None)
 Parse through the input file and read all user-supplied options. More...
 

Variables

 src.parser.logger = getLogger(__name__)
 
dictionary src.parser.gen_opts_types
 Default general options. More...
 
dictionary src.parser.tgt_opts_types
 Default fitting target options. More...
 
 src.parser.all_opts_names = list(itertools.chain(*[i.keys() for i in gen_opts_types.values()])) + list(itertools.chain(*[i.keys() for i in tgt_opts_types.values()]))
 
list src.parser.iocc = []
 Check for uniqueness of option names. More...
 
dictionary src.parser.gen_opts_defaults = {}
 Default general options - basically a collapsed veresion of gen_opts_types. More...
 
dictionary src.parser.subdict = {}
 
dictionary src.parser.tgt_opts_defaults = {}
 Default target options - basically a collapsed version of tgt_opts_types. More...
 
dictionary src.parser.bkwd
 Option maps for maintaining backward compatibility. More...
 
list src.parser.mainsections = ["SIMULATION","TARGET","OPTIONS","END","NONE"]
 Listing of sections in the input file. More...
 
dictionary src.parser.ParsTab
 ParsTab that refers to subsection parsers. More...