def read(self, filename=None, preprocess=True, **defines):
"""Preprocess, read and parse itp file *filename*.
Any keywords in *defines* are use to modify the default preprocessor
variables (see
:meth:`gromacs.fileformats.preprocessor.Preprocessor.parse` for
details). Setting *preprocess* = ``False`` skips the preprocessing
step.
"""
self._init_filename(filename)
if preprocess:
kwargs = self.defines.copy()
kwargs['commentchar'] = self.commentchar
kwargs['clean'] = True
ppitp = Preprocessor(self.real_filename, **kwargs)
ppitp.parse(**defines)
itp = ppitp.StringIO()
else:
itp = open(self.real_filename)
try:
stream = OneLineBuffer(itp.next)
self.parse(stream)
finally:
itp.close()
def contains_preprocessor_constructs(self):
"""Check if file makes use of any preprocessor constructs.
The test is done by running the file through the
:class:`~gromacs.fileformats.preprocessor.Preprocessor` (while
stripping all empty and lines starting with a comment character. This
is compared to the original file, stripped in the same manner. If the
two stripped files differ from each other then the preprocessor altered
the file and preprocessor directives must have been involved and this
function returns ``True``.
.. versionadded: 0.3.1
"""
from itertools import izip
kwargs = self.defines.copy()
kwargs['commentchar'] = self.commentchar
kwargs['clean'] = True
kwargs['strip'] = True
ppitp = Preprocessor(self.real_filename, **kwargs)
ppitp.parse()
pp_lines = ppitp.StringIO().readlines()
def strip_line(line):
s = line.strip()
return len(s) == 0 or s.startswith(self.commentchar)
raw_lines = [line for line in open(self.real_filename) if not strip_line(line)]
if len(pp_lines) != len(raw_lines):
self.logger.debug("File %r is preprocessed (pp: %d vs raw %d lines (stripped))",
self.real_filename, len(pp_lines), len(raw_lines))
return True
for linenum, (raw, pp) in enumerate(izip(raw_lines, pp_lines)):
if raw != pp:
self.logger.debug("File %r is preprocessed. Difference at (stripped) line %d",
self.real_filename, linenum)
self.logger.debug("preprocessed: %s", pp)
self.logger.debug("original: %s", raw)
return True
self.logger.debug("File %r does not appear to contain recognized preprocessing directives",
self.real_filename)
return False
