Hello folks,
First of all, sorry about starting a new thread. Unfortunately, I have not
figured out a way to reply to my own earlier post.
I have found the answer to this ReplaceSubstructs issue from Paolo's reply
to an earlier post of mine.
Hi Mark,
I believe the bug is caused by the fact that isAtomListQuery() returns true
for a query that is actually a complex query, and that subsequently
getAtomListQueryVals() (called by getAtomListText()) fails to parse.
The following patch seems to solve the problem:
$ git diff
diff --git
Hi all,
I'm trying to generate an SVG from reaction SMARTS. The code looks like this:
QByteArray ChemicalReactionsCalculation::toSvg(const QString , int
width, int height)
{
try
{
std::string text = reaction.toStdString();
std::unique_ptr
Dear all,
This year it is once again possible to do longer projects as part of Google
Summer of Code, so I think it makes sense for the RDKit to participate
again.
If you have ideas for projects which can be accomplished with about 350
hours of effort (~30 hours/week for 12 weeks) and are
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