Re: [Open Babel] obabel: Converting sdf with multi-line properties

2014-04-17 Thread Noel O'Boyle
Sure - go ahead. We won't fight over who gets to do it. :-) On 15 April 2014 18:22, Jeff Janes wrote: > > On Wed, Aug 14, 2013 at 12:41 PM, Jeff Janes wrote: > >> On Wed, Jul 17, 2013 at 1:52 PM, Chris Morley >> wrote: >> > The fix is at Line 183 in obconversion.cpp: >> > -static string t

Re: [Open Babel] obabel: Converting sdf with multi-line properties

2014-04-15 Thread Jeff Janes
On Wed, Aug 14, 2013 at 12:41 PM, Jeff Janes wrote: > On Wed, Jul 17, 2013 at 1:52 PM, Chris Morley > wrote: > > The fix is at Line 183 in obconversion.cpp: > > -static string title(_title); //potential problems in calling code > > with multiple molecules! > > +static string title; //sta

Re: [Open Babel] obabel: Converting sdf with multi-line properties

2013-08-14 Thread Jeff Janes
On Wed, Jul 17, 2013 at 1:52 PM, Chris Morley wrote: > The fix is at Line 183 in obconversion.cpp: > -static string title(_title); //potential problems in calling code > with multiple molecules! > +static string title; //static because returning a pointer to it > +title =_title; //now

Re: [Open Babel] obabel: Converting sdf with multi-line properties

2013-07-17 Thread Chris Morley
The fix is at Line 183 in obconversion.cpp: -static string title(_title); //potential problems in calling code with multiple molecules! +static string title; //static because returning a pointer to it +title =_title; //now assigned; previously initialized which caused problems with mu

Re: [Open Babel] obabel: Converting sdf with multi-line properties

2013-07-16 Thread Noel O'Boyle
$ grep append `/usr/bin/find . | grep .cpp` ./src/transform.cpp:itr = pOptions->find("append"); //Appends values of desc riptors or properties to title ./src/transform.cpp:"--append Append properties or descriptors in list to title:\n" We're on github if you want to submit a patch for r

[Open Babel] obabel: Converting sdf with multi-line properties

2013-07-15 Thread Jeff Janes
I have an sdf file which has a property that is sometimes multiple lines. When I try to output that property in the title, something very strange happens. The title for the first molecule with a multi-lined property gets memorized, and then that title gets output for all subsequent molecules whic