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Not warning worthy
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johnmay committed May 18, 2018
1 parent 0ce452d commit d26f3c4
Showing 1 changed file with 1 addition and 4 deletions.
Original file line number Diff line number Diff line change
Expand Up @@ -485,7 +485,7 @@ private IAtomContainer readMolecule(IAtomContainer molecule) throws CDKException
handleError("Atom charge count is empty", linecount, 35, 39);
}

try {
if (line.length() >= 64) {
// read the mmm field as position 61-63
String reactionAtomIDString = line.substring(60, 63).trim();
logger.debug("Parsing mapping id: ", reactionAtomIDString);
Expand All @@ -498,9 +498,6 @@ private IAtomContainer readMolecule(IAtomContainer molecule) throws CDKException
logger.error("Mapping number ", reactionAtomIDString, " is not an integer.");
logger.debug(exception);
}
} catch (Exception exception) {
// older mol files don't have all these fields...
logger.warn("A few fields are missing. Older MDL MOL file?");
}

//shk3: This reads shifts from after the molecule. I don't think this is an official format, but I saw it frequently 80=>78 for alk
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