Package schrodinger :: Package application :: Package jaguar :: Module make_headers

Module make_headers

Classes

JaguarTemplates
Class containing text block templates for Jaguar auto-generated C-style header files.

MopacTemplates
Class containing text block templates for MOPAC auto-generated C-style header files.

HeaderWriter
Class to write a file structured as a header with sections for integer, real and string, etc keywords followed by a footer.

Functions

[hide private]

write_header_files(hw, keyword_path, default_path, verbose)
Write header files

setup(application, parsed_args)
Create file paths for the headers files to be generated.

parse_args(args)
Parse cmdline arguments

main(args)
Auto-generate header files from an XML file.

Variables

[hide private]

VALID_KEYWORD_TYPES = ['integer', 'real', 'string']

MAX_COLUMNS = 80

__package__ = 'schrodinger.application.jaguar'

Function Details

[hide private]

setup(application, parsed_args)

Create file paths for the headers files to be generated. Initialize text blocks (templates) to use when generating the headers. Validate the input XML files against a DTD specification.