Package schrodinger :: Package application :: Package jaguar :: Module make_headers :: Class HeaderWriter

Class HeaderWriter

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

Instance Methods

[hide private]

__init__(self, keywords, application, templates)

_check_macro(self, str)
If this script is being run to make the MOPAC headers, then replace MMJAG_ with MMJAG_MOPAC_ in the macro string input as str.

_get_field_widths(self, keyword)
Find appropriate field widths for pretty formatting

_do_line_wrap(self, text, indent)
Wrapper for textwrap function

_macro_formatter(self, keyword)
Format a C pre-processor macro for given keyword

_default_formatter(self, keyword)
Format a string for given keyword that can be stuck into the mmjag_*_default structure arrays, setting up the default values for keywords when provided.

_mopac_integer_formatter(self, keyword, field)

write_header_file(self, mode, file)
Loop over keyword types and names and generate header file

Method Details

[hide private]

_check_macro(self, str)

If this script is being run to make the MOPAC headers, then replace MMJAG_ with MMJAG_MOPAC_ in the macro string input as str. Also replace hyphens with underscores, since hyphens are forbidden in C-style macros