Class _ParseRulesFile

Utility functions (no objects) to read and parse joining-rules files and to write new such files with proper syntax.

Instance Methods

[hide private]

_handle_def(s, defs_l, defs_d, rdefs_d, oblig_s, ok_d, okm_d, rok_d, rokm_d)

_handle_obl(s, defs_l, defs_d, rdefs_d, oblig_s, ok_d, okm_d, rok_d, rokm_d)

_handle_ok(s, defs_l, defs_d, rdefs_d, oblig_s, ok_d, okm_d, rok_d, rokm_d)

_handle_okm(s, defs_l, defs_d, rdefs_d, oblig_s, ok_d, okm_d, rok_d, rokm_d)

Class Methods

[hide private]

_strip_line(cls, s)

_get_keyword(cls, s)
Find leading keyword and strip it from the input line.

read(cls, rules_file, defs_l, defs_d, rdefs_d, oblig_s, ok_d, okm_d, rok_d, rokm_d)

write(cls, rules_file, defs_l, defs_d, rdefs_d, oblig_s, ok_d, okm_d, rokm_d, use_def_names=False)
Dump the (expanded) rules to rules_file

Static Methods

[hide private]

_expand_defs(s, defs_d)
Replace occurrences of any defined names in s with their definitions and return the resulting string:

_undef(s, rdefs_d, use_def_names)
Undo definitions: replace defined SMARTS found in s with the user-defined name, if any, and if use_def_names is True.

Class Variables

[hide private]

re_comment = re.compile(r'^#.*|\s+#.*')

re_def = re.compile(r'^DEF\s*:\s*', re.I)

re_obl = re.compile(r'^OBL\s*:\s*', re.I)

re_ok = re.compile(r'^OK\s*:\s*', re.I)

re_okm = re.compile(r'^OK-\s*:\s*', re.I)

re_def_name = re.compile(r'%\w+')

re_d = {re_def: _handle_def, re_obl: _handle_obl, re_ok: _hand...

Method Details

[hide private]

_get_keyword(cls, s)
Class Method

Find leading keyword and strip it from the input line. Return the matching regex and the remainder of the line.

Class Variable Details

[hide private]

re_d

Value:

{re_def: _handle_def, re_obl: _handle_obl, re_ok: _handle_ok, re_okm: 
_handle_okm}

Class _ParseRulesFile

_get_keyword(cls, s) Class Method

re_d

_get_keyword(cls, s)
Class Method