Package schrodinger :: Package application :: Package jaguar :: Module user_config
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Module user_config

User profiles and configuration support for Jaguar input files

Classes [hide private]
  JaguarConfigError
Functions [hide private]
 
_load_user_macros(fh)
Import the Jaguar configuration file.
 
_write_preprocessed_infile(macros, infile, outfile)
Write expanded file <outfile> based on file <infile> and macro definitions.
 
get_config_filename()
Return path to Jaguar config file
 
preprocess_infile(infile, outfile)
Preprocess macros in file <infile> and write postprocessed file <outfile>.
Variables [hide private]
  CONFIG_FILE = 'jaguar.config'
  __package__ = 'schrodinger.application.jaguar'
Function Details [hide private]

_load_user_macros(fh)

 

Import the Jaguar configuration file. The format is:

<name1> key1=value1 key2=value2 ... <name2> keyA=valueA keyB=valueB

where <name> is differentiated as any line NOT containing a "=" character.

Parameters:
  • fh (open file handle) - file handle to an open, readable Jaguar configuration file

_write_preprocessed_infile(macros, infile, outfile)

 

Write expanded file <outfile> based on file <infile> and macro definitions.

Parameters:
  • infile (str) - name of file to be preprocessed
  • outfile (str) - name of postprocessed file

preprocess_infile(infile, outfile)

 

Preprocess macros in file <infile> and write postprocessed file <outfile>. If files names are the same, <infile> is overwritten.

Parameters:
  • infile (str) - name of file to be preprocessed
  • outfile (str) - name of postprocessed file