rt(it, NULL);
was changed to
int_coord.insert(it, static_cast(NULL));
and obutil.cpp, line 452:
vic.insert(it, NULL);
was changed in the same way.
The deeper reason for this is that VS 2010 implements some features from C++11,
notably a 'nullptr' constant to replace NULL and
> Why cant I create objects like as provided in the examples.
> http://openbabel.org/docs/2.3.1/UseTheLibrary/CppExamples.html
Notice how the example explicitly specifies the namespace
("OpenBabel::OBConversion") which you did not do in your original code (where
it just says "OBConversion"). Thi
o of MOPAC 7 modifications that are
everywhere).
So I'm afraid that I don't have a solution here, but maybe one of the other
people on this list have better ideas.
Kind regards,
Paul Becherer.
--
Android is in
can imagine that some kind of release form or other document from my employer
is required before the code can be integrated into the regular Open Babel
source. I'd be very grateful if anyone could guide us through any formalities
here.
Kind regards,
Paul Becherer
Development Scientist
Culgi B
code under the GPL.
I've cleared this with my employer beforehand, but some projects are more
formal in that regard and require additional documentation. I'm glad that isn't
needed here.
Kind regards,
Paul Becherer,
Culgi B.V.
___
OpenBa
, N, O, F, Na, Si, P, S, Cl, K, Br, Rb, I, Cs.
Kind regards,
Paul Becherer
Development Scientist
Culgi B.V.
Galileiweg 8
2333 BD Leiden
The Netherlands
+31-71-332-2056
-Original Message-
From: Geoffrey Hutchison
Sent: Friday, February 22, 2019 03:38
To: Paul Becherer
Cc: openbabel
ional forms for hydrogen will change the hydrogen charges on other
molecules so that *they* no longer match, so I could not find a way to
reproduce the LiH charges.
Kind regards,
Paul Becherer
Development Scientist
Culgi B.V.
Galileiweg 8
2333 BD Leiden
The Netherlands
+31-71-332-2056
-O
;user" charges so that they
contain the same partial charges as the COF files.
The MOL2 files are thus included mainly for convenience.
Kind regards,
Paul Becherer
Development Scientist
Culgi B.V.
Galileiweg 8
2333 BD Leiden
The Netherlands
+31-71-332-2056
From: Geoffrey Hutchison
Sent
