mirror of
https://github.com/rdkit/rdkit.git
synced 2026-06-04 21:54:27 +08:00
sync with trunk. add inchi support to java wrapper.
This commit is contained in:
@@ -18,6 +18,9 @@ if(WIN32)
|
||||
MolAlign
|
||||
Alignment
|
||||
RDGeometryLib RDGeneral )
|
||||
if(RDK_BUILDING_INCHI_SUPPORT)
|
||||
set(RDKit_Wrapper_Libs RDInchiLib Inchi ${RDKit_Wrapper_Libs})
|
||||
endif(RDK_BUILDING_INCHI_SUPPORT)
|
||||
else()
|
||||
set(RDKit_Wrapper_Libs
|
||||
FileParsers_static SmilesParse_static
|
||||
@@ -29,6 +32,11 @@ else()
|
||||
MolAlign_static
|
||||
Alignment_static
|
||||
RDGeometryLib_static RDGeneral_static )
|
||||
if(RDK_BUILDING_INCHI_SUPPORT)
|
||||
set(RDKit_Wrapper_Libs RDInchiLib_static Inchi_static ${RDKit_Wrapper_Libs})
|
||||
endif(RDK_BUILDING_INCHI_SUPPORT)
|
||||
|
||||
|
||||
endif()
|
||||
|
||||
add_subdirectory(gmwrapper)
|
||||
|
||||
@@ -96,6 +96,7 @@ namespace {
|
||||
for(unsigned int i=0;i<slen;++i){
|
||||
label+=(char)*pos++;
|
||||
}
|
||||
int orient=*pos++;
|
||||
int width=fontSz*label.length();
|
||||
int height=fontSz;
|
||||
sstr<<"<svg:g transform='translate("<<xp<<","<<yp<<")'><svg:rect ";
|
||||
|
||||
38
Code/JavaWrappers/Inchi.i
Normal file
38
Code/JavaWrappers/Inchi.i
Normal file
@@ -0,0 +1,38 @@
|
||||
/*
|
||||
* $Id: AddHs.i 122 2011-01-18 07:22:46Z bill.smith $
|
||||
*
|
||||
* Copyright (c) 2010, Novartis Institutes for BioMedical Research Inc.
|
||||
* All rights reserved.
|
||||
*
|
||||
* Redistribution and use in source and binary forms, with or without
|
||||
* modification, are permitted provided that the following conditions are
|
||||
* met:
|
||||
*
|
||||
* * Redistributions of source code must retain the above copyright
|
||||
* notice, this list of conditions and the following disclaimer.
|
||||
* * Redistributions in binary form must reproduce the above
|
||||
* copyright notice, this list of conditions and the following
|
||||
* disclaimer in the documentation and/or other materials provided
|
||||
* with the distribution.
|
||||
* * Neither the name of Novartis Institutes for BioMedical Research Inc.
|
||||
* nor the names of its contributors may be used to endorse or promote
|
||||
* products derived from this software without specific prior written permission.
|
||||
*
|
||||
* THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS
|
||||
* "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT
|
||||
* LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR
|
||||
* A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT
|
||||
* OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL,
|
||||
* SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT
|
||||
* LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE,
|
||||
* DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY
|
||||
* THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
|
||||
* (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
|
||||
* OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
|
||||
*/
|
||||
|
||||
%{
|
||||
#include <INCHI-API/inchi.h>
|
||||
%}
|
||||
%include <INCHI-API/inchi.h>
|
||||
|
||||
@@ -249,4 +249,6 @@ typedef unsigned long long int uintmax_t;
|
||||
}
|
||||
|
||||
%include "../Descriptors.i"
|
||||
|
||||
#ifdef BUILD_INCHI_SUPPORT
|
||||
%include "../Inchi.i"
|
||||
#endif
|
||||
|
||||
Reference in New Issue
Block a user