From cc8b7749133d788c4c50434a6dccc8d1ba669720 Mon Sep 17 00:00:00 2001 From: Jinzhe Zeng Date: Mon, 24 Jun 2024 10:50:27 -0400 Subject: [PATCH] fix `SyntaxWarning: invalid escape sequence` (#1350) --- parmed/amber/parameters.py | 4 ++-- parmed/formats/pdbx/PdbxReader.py | 22 +++++++++++----------- 2 files changed, 13 insertions(+), 13 deletions(-) diff --git a/parmed/amber/parameters.py b/parmed/amber/parameters.py index 9681422e9..705f5fce3 100644 --- a/parmed/amber/parameters.py +++ b/parmed/amber/parameters.py @@ -25,13 +25,13 @@ _bondre = re.compile(r'(..?)-(..?)\s+%(FLOATRE)s\s+%(FLOATRE)s' % subs) _anglere = re.compile(r'(..?)-(..?)-(..?)\s+%(FLOATRE)s\s+%(FLOATRE)s' % subs) _dihedre = re.compile(r'(..?)-(..?)-(..?)-(..?)\s+%(FLOATRE)s\s+' - '%(FLOATRE)s\s+%(FLOATRE)s\s+%(FLOATRE)s' % subs) + r'%(FLOATRE)s\s+%(FLOATRE)s\s+%(FLOATRE)s' % subs) _dihed2re = re.compile(r'\s*%(FLOATRE)s\s+%(FLOATRE)s\s+%(FLOATRE)s\s+' '%(FLOATRE)s' % subs) _sceere = re.compile(r'SCEE=\s*%(FLOATRE)s' % subs) _scnbre = re.compile(r'SCNB=\s*%(FLOATRE)s' % subs) _impropre = re.compile(r'(..?)-(..?)-(..?)-(..?)\s+' - '%(FLOATRE)s\s+%(FLOATRE)s\s+%(FLOATRE)s' % subs) + r'%(FLOATRE)s\s+%(FLOATRE)s\s+%(FLOATRE)s' % subs) # Leaprc regexes _atomtypere = re.compile(r"""({\s*["']([\w\+\-]+)["']\s*["'](\w+)["']\s*""" r"""["'](\w+)["']\s*})""") diff --git a/parmed/formats/pdbx/PdbxReader.py b/parmed/formats/pdbx/PdbxReader.py index c87f3eb48..a1a312e9a 100644 --- a/parmed/formats/pdbx/PdbxReader.py +++ b/parmed/formats/pdbx/PdbxReader.py @@ -326,16 +326,16 @@ def __tokenizer(self, ifh): mmcifRe = re.compile( r"(?:" - "(?:_(.+?)[.](\S+))" "|" # _category.attribute + r"(?:_(.+?)[.](\S+))" r"|" # _category.attribute - "(?:['](.*?)(?:[']\s|[']$))" "|" # single quoted strings - "(?:[\"](.*?)(?:[\"]\s|[\"]$))" "|" # double quoted strings + r"(?:['](.*?)(?:[']\s|[']$))" r"|" # single quoted strings + r"(?:[\"](.*?)(?:[\"]\s|[\"]$))" r"|" # double quoted strings - "(?:\s*#.*$)" "|" # comments (dumped) + r"(?:\s*#.*$)" r"|" # comments (dumped) - "(\S+)" # unquoted words + r"(\S+)" # unquoted words - ")") + r")") fileIter = iter(ifh) @@ -398,15 +398,15 @@ def __tokenizerOrg(self, ifh): mmcifRe = re.compile( r"(?:" - "(?:_(.+?)[.](\S+))" "|" # _category.attribute + r"(?:_(.+?)[.](\S+))" r"|" # _category.attribute - "(?:['\"](.*?)(?:['\"]\s|['\"]$))" "|" # quoted strings + r"(?:['\"](.*?)(?:['\"]\s|['\"]$))" r"|" # quoted strings - "(?:\s*#.*$)" "|" # comments (dumped) + r"(?:\s*#.*$)" r"|" # comments (dumped) - "(\S+)" # unquoted words + r"(\S+)" # unquoted words - ")") + r")") fileIter = iter(ifh)