bug in MDLParser.cpp when reading a rxn file in v3000 format that contains agents

[jungb-basf]

Error reading rxn files in V3000 format that contains agents

if a rxn file contains agents the function ParseV3000RxnBlock stops with the error message "BEGIN AGENT line not found",

see line 271:

if (tempStr.length()< 14 || tempStr.substr(0, 14) != "BEGIN AGENT") {
throw FileParseException("BEGIN AGENT line not found");
}

the string length should be compared with 11 instead of 14.

the same in line 298:

if (tempStr.length() < 12 || tempStr.substr(0, 12) != "END AGENT") {
throw FileParseException("END AGENT line not found");
}

please replace 12 by 9

Thanks
Brigitte

[bp-kelley]

Thanks good catch and diagnosis.