mirror of
https://github.com/rdkit/rdkit.git
synced 2026-06-04 21:54:27 +08:00
cf269aa813
* Fist pass at CDX support * Enable CDX support for reading (also) in the CDXMLParser API * Add cdxml test files * Update swig wrappers for CDXMLFormat and Parameters * Add constructor to ChemDrawParserParams * Add Java SWIG support for ChemDraw * Add chemdraw define to rdconfig * Add missing chemdraw deps * Remove direct expat link * Fix Java linkages for ChemDraw * Remove bad merge code * Remove bad merge code * Fix csharp builds * Add sniffer for the ChemDraw DataStream * Include filesystem * Fix test on windows * Add more CDX tests * Ensure streams are open in binary mode to support CDX on windows * Fix text to show that a Block is the text input, not a file * Fix CSharp test * Disable CDX tests when not building chemdraw * Turn back on chemdraw * Response to review * Turn off chemdraw support for the limited external test --------- Co-authored-by: Brian Kelley <bkelley@glysade.com>
To build on Windows:
====================
Since cmake doesn't know anything about C#, there's an unfortunate
manual step involved in this.
- Make sure that the cmake configuration variable
RDK_BUILD_SWIG_CSHARP_WRAPPER is set to ON.
- Run cmake to generate the solution file and open it in Visual
Studio.
- Select the option to add an existing project and add
$RDBASE/Code/JavaWrappers/csharp_wrapper/RDKit2DotNet.csproj
- Right click on the added project (named RDKit2DotNet) and add a
dependency to RDKFuncs (this is the project that creates the C++
dll that the C# project needs)
- Build the RDKit2DotNet project.
Your bin directory
($RDBASE/Code/JavaWrappers/csharp_wrapper/bin/Release if you did a
release build) now contains two DLLs:
- RDKFuncs.dll is the C++ dll containing the RDKit functionality
- RDKit2DotNet.dll contains the C# wrapper.
To use the wrappers in your own projects, you should copy both dlls
into your project directory and add a reference to RDKit2DotNet.dll
The directory RDKitCSharpTest contains a sample test project and some
code that makes very basic use of the wrapper functionality.
To build on a linux system with mono installed:
==============================================
- Make sure that the cmake configuration variable
RDK_BUILD_SWIG_CSHARP_WRAPPER is set to ON.
- Run cmake and then do "make install"
This will create, in this directory, two files:
- libRDKFuncs.{so,dynlib} (name depends on OS): the C++ dll
containing the RDKit functionality
- RDKit2DotNet.dll contains the C# wrapper.
Build and run the test code:
-------------------------------
gmcs -out:test.exe -addmodule:./RDKit2DotNet.dll test.cs
mono test.exe