[ck2cti] Show line numbers of unmarked duplicate reactions
This commit is contained in:
Ray Speth
parent
f9fcfc562e
commit
7eae48abba
1 changed files with 25 additions and 13 deletions
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@ -1314,8 +1314,13 @@ class Parser(object):
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comment = ''
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return line, comment
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with open(path, 'r') as f:
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line = f.readline()
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with open(path, 'r') as ck_file:
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self.line_number = 0
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def readline():
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self.line_number += 1
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return ck_file.readline()
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line = readline()
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while line != '':
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line = removeCommentFromLine(line)[0]
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line = line.strip()
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@ -1325,7 +1330,7 @@ class Parser(object):
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index = get_index(tokens, 'ELEMENTS')
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tokens = tokens[index+1:]
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while not contains(line, 'END'):
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line = f.readline()
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line = readline()
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line = removeCommentFromLine(line)[0]
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line = line.strip()
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tokens.extend(line.split())
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@ -1340,7 +1345,7 @@ class Parser(object):
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index = get_index(tokens, 'SPECIES')
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tokens = tokens[index+1:]
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while not contains(line, 'END'):
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line = f.readline()
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line = readline()
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line = removeCommentFromLine(line)[0]
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line = line.strip()
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tokens.extend(line.split())
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@ -1360,7 +1365,7 @@ class Parser(object):
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entryLength = None
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entry = []
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while not get_index(line, 'END') == 0:
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line = f.readline()
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line = readline()
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line = removeCommentFromLine(line)[0]
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if not line:
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continue
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@ -1400,7 +1405,7 @@ class Parser(object):
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elif contains(line, 'THERM'):
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# List of thermodynamics (hopefully one per species!)
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line = f.readline()
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line = readline()
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TintDefault = float(line.split()[1])
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thermo = ''
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while not contains(line, 'END'):
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@ -1416,7 +1421,7 @@ class Parser(object):
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except KeyError:
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logging.info('Skipping unexpected species "{0}" while reading thermodynamics entry.'.format(label))
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thermo = ''
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line = f.readline()
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line = readline()
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elif contains(line, 'REACTIONS'):
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# Reactions section
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@ -1440,10 +1445,11 @@ class Parser(object):
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kineticsList = []
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commentsList = []
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startLines = []
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kinetics = ''
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comments = ''
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line = f.readline()
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line = readline()
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while line and not contains(line, 'END'):
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lineStartsWithComment = line.startswith('!')
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@ -1455,6 +1461,7 @@ class Parser(object):
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# Finish previous record
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kineticsList.append(kinetics)
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commentsList.append(comments)
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startLines.append(self.line_number)
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kinetics = ''
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comments = ''
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@ -1463,20 +1470,23 @@ class Parser(object):
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if comment:
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comments += comment + '\n'
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line = f.readline()
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line = readline()
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# Don't forget the last reaction!
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if kinetics.strip() != '':
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startLines.append(self.line_number)
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kineticsList.append(kinetics)
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commentsList.append(comments)
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if kineticsList[0] == '' and commentsList[-1] == '':
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# True for mechanism files generated from RMG-Py
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kineticsList.pop(0)
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startLines.pop(0)
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commentsList.pop(-1)
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elif kineticsList[0] == '' and commentsList[0] == '':
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# True for mechanism files generated from RMG-Java
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kineticsList.pop(0)
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startLines.pop(0)
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commentsList.pop(0)
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else:
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# In reality, comments can occur anywhere in the mechanism
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@ -1491,18 +1501,20 @@ class Parser(object):
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if len(kineticsList) != len(commentsList):
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commentsList = ['' for kinetics in kineticsList]
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for kinetics, comments in zip(kineticsList, commentsList):
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for kinetics, comments, line_number in zip(kineticsList, commentsList, startLines):
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reaction,revReaction = self.readKineticsEntry(kinetics)
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reaction.line_number = line_number
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self.reactions.append(reaction)
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if revReaction is not None:
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revReaction.line_number = line_number
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self.reactions.append(revReaction)
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elif contains(line, 'TRAN'):
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line = f.readline()
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line = readline()
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while not contains(line, 'END'):
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transportLines.append(line)
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line = f.readline()
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line = readline()
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# Check for marked (and unmarked!) duplicate reactions
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# Raise exception for unmarked duplicate reactions
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@ -1516,7 +1528,7 @@ class Parser(object):
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elif reaction1.kinetics.isPressureDependent() == reaction2.kinetics.isPressureDependent():
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# If both reactions are pressure-independent or both are pressure-dependent, then they need duplicate tags
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# pdep and non-pdep reactions are treated as different, so those are okay
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raise InputParseError('Encountered unmarked duplicate reaction {0}.'.format(reaction1))
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raise InputParseError('Encountered unmarked duplicate reaction {0} (See lines {1} and {2} of the input file.).'.format(reaction1, reaction1.line_number, reaction2.line_number))
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index = 0
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for reaction in self.reactions:
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