Resolve Issue #1999

Include kekulize.h in bindings so you can run OBKekulize.
This commit is contained in:
dkoes
2020-09-26 20:37:14 -04:00
parent 4709b07521
commit bb7b0fc71e
8 changed files with 19 additions and 1 deletions
+3
View File
@@ -15,6 +15,7 @@
#include <openbabel/generic.h>
#include <openbabel/griddata.h>
#include <openbabel/kekulize.h>
#include <openbabel/elements.h>
#include <openbabel/base.h>
@@ -287,6 +288,8 @@ CAST_GENERICDATA_TO(VirtualBond)
%warnfilter(516) OpenBabel::OBUnitCell; // Ignoring const methods in favour of non-const ones
%include <openbabel/generic.h>
%include <openbabel/griddata.h>
%include <openbabel/kekulize.h>
%include <openbabel/chains.h>
%include <openbabel/typer.h>
+1
View File
@@ -635,6 +635,7 @@ using System.Runtime.InteropServices;
#include <openbabel/generic.h>
#include <openbabel/griddata.h>
#include <openbabel/kekulize.h>
#include <openbabel/base.h>
#include <openbabel/mol.h>
+3
View File
@@ -15,6 +15,8 @@
#include <openbabel/generic.h>
#include <openbabel/griddata.h>
#include <openbabel/kekulize.h>
#include <openbabel/base.h>
#include <openbabel/elements.h>
@@ -243,6 +245,7 @@ CAST_GENERICDATA_TO(VirtualBond)
%warnfilter(516) OpenBabel::OBUnitCell; // Ignoring const methods in favour of non-const ones
%include <openbabel/generic.h>
%include <openbabel/griddata.h>
%include <openbabel/kekulize.h>
%include <openbabel/chains.h>
%include <openbabel/typer.h>
+1
View File
@@ -284,6 +284,7 @@ CAST_GENERICDATA_TO(VibrationData)
CAST_GENERICDATA_TO(VirtualBond)
%include <openbabel/griddata.h> // Needs to come after generic.h
%include <openbabel/kekulize.h>
%include <openbabel/chains.h>
//# %import <openbabel/bitvec.h>
+3
View File
@@ -17,6 +17,7 @@
#include <openbabel/math/matrix3x3.h>
#include <openbabel/generic.h>
#include <openbabel/griddata.h>
#include <openbabel/kekulize.h>
#include <openbabel/base.h>
#include <openbabel/mol.h>
@@ -188,6 +189,8 @@ CAST_GENERICDATA_TO(VirtualBond)
%include <openbabel/base.h>
%include <openbabel/generic.h>
%include <openbabel/griddata.h>
%include <openbabel/kekulize.h>
%import <openbabel/chains.h>
%import <openbabel/typer.h>
+3
View File
@@ -15,6 +15,7 @@
#include <openbabel/generic.h>
#include <openbabel/griddata.h>
#include <openbabel/kekulize.h>
#include <openbabel/base.h>
#include <openbabel/mol.h>
@@ -220,6 +221,8 @@ CAST_GENERICDATA_TO(VirtualBond)
%include <openbabel/generic.h>
%include <openbabel/griddata.h>
%include <openbabel/kekulize.h>
%include <openbabel/chains.h>
%include <openbabel/typer.h>
+2 -1
View File
@@ -18,6 +18,7 @@
#include <openbabel/generic.h>
#include <openbabel/griddata.h>
#include <openbabel/kekulize.h>
#include <openbabel/elements.h>
#include <openbabel/base.h>
@@ -263,7 +264,7 @@ CAST_GENERICDATA_TO(SquarePlanarStereo)
%template(OBPairInteger) OpenBabel::OBPairTemplate<int>;
%template(OBPairFloatingPoint) OpenBabel::OBPairTemplate<float>;
%include <openbabel/griddata.h>
%include <openbabel/kekulize.h>
%include <openbabel/chains.h>
%include <openbabel/typer.h>
+3
View File
@@ -23,6 +23,7 @@
#include <openbabel/generic.h>
#include <openbabel/griddata.h>
#include <openbabel/kekulize.h>
#include <openbabel/base.h>
#include <openbabel/elements.h>
@@ -209,6 +210,8 @@ CAST_GENERICDATA_TO(SquarePlanarStereo)
%include <openbabel/base.h>
%include <openbabel/generic.h>
%include <openbabel/griddata.h>
%include <openbabel/kekulize.h>
%import <openbabel/chains.h>
%import <openbabel/typer.h>