initial import

Code/Demos/boost/EBV_err/classA.h

@@ -0,0 +1,42 @@
+#include <map>
+#include <iostream>
+#include <string>
+
+
+#ifndef CLASSA_H
+#define CLASSA_H
+
+#ifdef WIN32
+#pragma warning (disable: 4786) // warning: long & complicated stl warning
+#pragma warning (disable: 4788) // warning: long & complicated stl warning
+#pragma warning (disable: 4660)
+#pragma warning (disable: 4275) // warning: non dll-interface class used as...
+#pragma warning (disable: 4305) // warning: truncation from 'const double' to 'const float' 
+#endif
+
+class classA {
+ public:
+  classA() {
+    setProp("useless", 10);
+  };
+  ~classA() {}
+  
+  void printA() const {
+    if (hasProp("useless")) {
+      std::cout << "has useless\n";
+    }
+  }
+
+  bool hasProp(std::string key) const {
+    return (dp_props.find(key) != dp_props.end());
+  }
+
+  void setProp(std::string key, int val) {
+    dp_props[key] = val;
+  }
+
+ private:
+  std::map<std::string, int> dp_props;
+};
+
+#endif

Code/Demos/boost/EBV_err/classC.h

@@ -0,0 +1,54 @@
+#include <map>
+#include <iostream>
+#include <string>
+#include <vector>
+
+#ifndef CLASSC_H
+#define CLASSC_H
+
+#ifdef WIN32
+#pragma warning (disable: 4786) // warning: long & complicated stl warning
+#pragma warning (disable: 4788) // warning: long & complicated stl warning
+#pragma warning (disable: 4660)
+#pragma warning (disable: 4275) // warning: non dll-interface class used as...
+#pragma warning (disable: 4305) // warning: truncation from 'const double' to 'const float' 
+#endif
+
+typedef std::pair<std::string, int> STR_INT;
+typedef std::vector<STR_INT> PAIR_VECT;
+
+class classC {
+  
+ public:
+  classC() {
+    setProp("useless", 10);
+  };
+  ~classC() {}
+  
+  void printC() const {
+    if (hasProp("useless")) {
+      std::cout << "has useless\n";
+    }
+  }
+
+  bool hasProp(std::string key) const {
+    PAIR_VECT::const_iterator pvi;
+    for (pvi = dp_props.begin(); pvi != dp_props.end(); pvi++) {
+      if (pvi->first == key) {
+        return true;
+      }
+    }
+    return false; 
+  }
+
+  void setProp(std::string key, int val) {
+    std::pair<std::string, int> newp(key, val);
+    dp_props.push_back(newp);
+  }
+
+ private:
+  PAIR_VECT dp_props;
+  
+};
+
+#endif

Code/Demos/boost/EBV_err/crossMod.dsw

@@ -0,0 +1,68 @@
+Microsoft Developer Studio Workspace File, Format Version 6.00
+# WARNING: DO NOT EDIT OR DELETE THIS WORKSPACE FILE!
+
+###############################################################################
+
+Project: "libDatastructs"=..\..\..\DataStructs\libDataStructs.dsp - Package Owner=<4>
+
+Package=<5>
+{{{
+}}}
+
+Package=<4>
+{{{
+}}}
+
+###############################################################################
+
+Project: "moduleB"=.\wrapB.dsp - Package Owner=<4>
+
+Package=<5>
+{{{
+}}}
+
+Package=<4>
+{{{
+    Begin Project Dependency
+    Project_Dep_Name libDatastructs
+    End Project Dependency
+}}}
+
+###############################################################################
+
+Project: "wrapA"=.\wrapA.dsp - Package Owner=<4>
+
+Package=<5>
+{{{
+}}}
+
+Package=<4>
+{{{
+}}}
+
+###############################################################################
+
+Project: "wrapC"=.\wrapC.dsp - Package Owner=<4>
+
+Package=<5>
+{{{
+}}}
+
+Package=<4>
+{{{
+}}}
+
+###############################################################################
+
+Global:
+
+Package=<5>
+{{{
+}}}
+
+Package=<3>
+{{{
+}}}
+
+###############################################################################
+

Code/Demos/boost/EBV_err/moduleB.cpp

@@ -0,0 +1,33 @@
+#include <boost/python.hpp>
+#include "classA.h"
+#include "classC.h"
+#include <DataStructs/ExplicitBitVect.h>
+namespace python = boost::python;
+
+void testCrossA(classA *A) {
+  A->printA();
+};
+
+void testCrossC(classC *C) {
+  C->printC();
+};
+
+classC *getClassC() {
+  classC *nc = new classC();
+  return nc;
+}
+
+ExplicitBitVect *getEBV() {
+  ExplicitBitVect *ebv = new  ExplicitBitVect(20);
+  return ebv;
+}
+
+BOOST_PYTHON_MODULE(moduleB) 
+{
+  python::def("testCrossA", testCrossA);
+  python::def("testCrossC", testCrossC);
+  python::def("GetClassC", getClassC,
+              python::return_value_policy<python::manage_new_object>());
+  python::def("GetEBV", getEBV,
+              python::return_value_policy<python::manage_new_object>());
+}

Code/Demos/boost/EBV_err/setup.py

@@ -0,0 +1,66 @@
+# Run this with:
+#  python setup.py install --install-lib=.
+from distutils.core import setup,Extension
+import RDConfig
+
+# force the use of g++ please
+from distutils import sysconfig
+save_init_posix = sysconfig._init_posix
+def my_init_posix():
+    print 'my_init_posix: changing gcc to g++'
+    save_init_posix()
+    g = sysconfig.get_config_vars()
+    g['CC'] = 'g++'
+    g['LDSHARED'] = 'g++ -shared'
+    g['PY_CFLAGS']= g['PY_CFLAGS'].replace('-O3','')
+sysconfig._init_posix = my_init_posix
+
+
+destDir = RDConfig.RDCodeDir
+extDir=RDConfig.RDBaseDir+"/External"
+
+# our stuff
+destDir = RDConfig.RDCodeDir
+srcDir = RDConfig.RDBaseDir+"/Code"
+extDir=RDConfig.RDBaseDir+"/External"
+
+incDirs = [srcDir]
+
+rdbitdir = srcDir + "/DataStructs"
+libDirs=[rdbitdir]
+libraries=["DataStructs"]
+
+# this is how things are done with BPLv2
+boostInc = '-isystem%s'%(extDir+"/boost_1_30_0")
+
+# FIX: there's gotta be a better way of doing this
+pyLibDir = '/usr/lib/python2.2/config'
+boostLibDir=extDir+"/boost_1_30_0/libs/python/build/bin/libboost_python.so/gcc/debug/runtime-link-dynamic/shared-linkable-true/"
+boostLib="boost_python"
+libDirs.append(boostLibDir)
+libDirs.append(pyLibDir)
+
+libraries.append(boostLib)
+libraries.append("python2.2") 
+
+compileArgs=['-ftemplate-depth-150',
+	     '-DBOOST_PYTHON_DYNAMIC_LIB',
+	     boostInc,
+	     ]
+setup(name="crossTest",version="1.0",
+  ext_modules=[Extension("moduleA",["wrapA.cpp"],
+                         include_dirs=incDirs,
+                         library_dirs=libDirs,
+                         libraries=libraries,
+                         extra_compile_args=compileArgs),
+               Extension("moduleB",["moduleB.cpp"],
+                         include_dirs=incDirs,
+                         library_dirs=libDirs,
+                         libraries=libraries,
+                         extra_compile_args=compileArgs),
+               Extension("moduleC",["wrapC.cpp"],
+                         include_dirs=incDirs,
+                         library_dirs=libDirs,
+                         libraries=libraries,
+                         extra_compile_args=compileArgs)])
+

Code/Demos/boost/EBV_err/test.py

@@ -0,0 +1,39 @@
+#from DataStructs import cDataStructs
+from DataStructs import cDataStructs
+import moduleA
+import moduleB
+import moduleC
+
+print "*****************************"
+print "Testing self print for classA"
+A = moduleA.classA()
+A.printA()
+print "*****************************"
+print
+
+print "*****************************"
+print "Testing self print for classC"
+C = moduleC.classC()
+C.printC()
+print "*****************************"
+print
+
+print "*****************************"
+print "Testing crossing C to B"
+moduleB.testCrossC(C)
+print "*****************************"
+print
+
+cc = moduleB.GetClassC()
+cc.printC()
+
+fp = cDataStructs.ExplicitBitVect(20)
+
+print "created fp"
+
+fp = moduleB.GetEBV()
+
+#print "*****************************"
+#print "Testing crossing A to B"
+#moduleB.testCrossA(A)
+#print "*****************************"

Code/Demos/boost/EBV_err/wrapA.cpp

@@ -0,0 +1,30 @@
+#include "classA.h"
+#include <boost/python.hpp>
+
+#ifdef WIN32
+#pragma warning (disable: 4786) // warning: long & complicated stl warning
+#pragma warning (disable: 4788) // warning: long & complicated stl warning
+#pragma warning (disable: 4660)
+#pragma warning (disable: 4275) // warning: non dll-interface class used as...
+#pragma warning (disable: 4305) // warning: truncation from 'const double' to 'const float' 
+#endif
+
+namespace python = boost::python;
+
+struct A_wrapper {
+  static void wrap() {
+    python::class_<classA>("classA", python::init<>())
+      .def("printA", &classA::printA)
+      ;
+  };
+};
+
+void wrap_classA() {
+  A_wrapper::wrap();
+}
+
+BOOST_PYTHON_MODULE(moduleA)
+{
+  wrap_classA();
+}
+

Code/Demos/boost/EBV_err/wrapA.dsp

@@ -0,0 +1,150 @@
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+
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Code/Demos/boost/EBV_err/wrapB.dsp

@@ -0,0 +1,150 @@
+# Microsoft Developer Studio Project File - Name="moduleB" - Package Owner=<4>
+# Microsoft Developer Studio Generated Build File, Format Version 6.00
+# ** DO NOT EDIT **
+
+# TARGTYPE "Win32 (x86) Dynamic-Link Library" 0x0102
+
+CFG=moduleB - Win32 DebugPython
+!MESSAGE This is not a valid makefile. To build this project using NMAKE,
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+!MESSAGE You can specify a configuration when running NMAKE
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+!MESSAGE 
+!MESSAGE NMAKE /f "wrapB.mak" CFG="moduleB - Win32 DebugPython"
+!MESSAGE 
+!MESSAGE Possible choices for configuration are:
+!MESSAGE 
+!MESSAGE "moduleB - Win32 Release" (based on "Win32 (x86) Dynamic-Link Library")
+!MESSAGE "moduleB - Win32 Debug" (based on "Win32 (x86) Dynamic-Link Library")
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+# ADD BASE MTL /nologo /D "_DEBUG" /mktyplib203 /win32
+# ADD MTL /nologo /D "_DEBUG" /mktyplib203 /win32
+# ADD BASE RSC /l 0x409 /d "_DEBUG"
+# ADD RSC /l 0x409 /d "_DEBUG"
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+# ADD BASE BSC32 /nologo
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+# ADD BASE LINK32 kernel32.lib user32.lib gdi32.lib winspool.lib comdlg32.lib advapi32.lib shell32.lib ole32.lib oleaut32.lib uuid.lib odbc32.lib odbccp32.lib /nologo /subsystem:windows /dll /debug /machine:I386 /pdbtype:sept
+# ADD LINK32 boost_python_debug.lib kernel32.lib user32.lib gdi32.lib winspool.lib comdlg32.lib advapi32.lib shell32.lib ole32.lib oleaut32.lib uuid.lib odbc32.lib odbccp32.lib $(PYTHONVERS).lib BLAS.lib LAPACK.lib /nologo /subsystem:windows /dll /debug /machine:I386 /nodefaultlib:"msvcprtdlib.lib" /out:"moduleB.dll" /pdbtype:sept /libpath:"$(PYTHONHOME)\libs" /libpath:"$(RDBASE)\External\Lapack\win32" /libpath:"$(RDBASE)/External/$(BOOSTBASE)/libs/python/build/bin-stage"
+# SUBTRACT LINK32 /nodefaultlib
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+
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+# ADD BASE MTL /nologo /D "_DEBUG" /mktyplib203 /win32
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+BSC32=bscmake.exe
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+# ADD LINK32 boost_python.lib, vflib.lib,libDatastructs.lib kernel32.lib user32.lib gdi32.lib winspool.lib comdlg32.lib advapi32.lib shell32.lib ole32.lib oleaut32.lib uuid.lib odbc32.lib odbccp32.lib $(PYTHONVERS).lib BLAS.lib LAPACK.lib boost_python.lib /nologo /subsystem:windows /dll /debug /machine:I386 /nodefaultlib:"msvcprtdlib.lib" /out:"DebugPython/moduleB_d.dll" /pdbtype:sept /libpath:"c:\python20\activepython-2.0.0-202\src\core\pcbuild" /libpath:"$(BOOSTBASE)\libs\python\build\bin-stage" /libpath:"$(PYTHONHOME)\libs" /libpath:"$(RDBASE)\External\Lapack\win32" /libpath:"$(RDBASE)/External/$(BOOSTBASE)/libs/python/build/bin-stage"
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Code/Demos/boost/EBV_err/wrapC.cpp

@@ -0,0 +1,31 @@
+#ifdef WIN32
+#pragma warning (disable: 4786) // warning: long & complicated stl warning
+#pragma warning (disable: 4788) // warning: long & complicated stl warning
+#pragma warning (disable: 4660)
+#pragma warning (disable: 4275) // warning: non dll-interface class used as...
+#pragma warning (disable: 4305) // warning: truncation from 'const double' to 'const float' 
+#endif
+
+#include "classC.h"
+#include <boost/python.hpp>
+
+
+namespace python = boost::python;
+
+struct C_wrapper {
+  static void wrap() {
+    python::class_<classC>("classC", python::init<>())
+      .def("printC", &classC::printC)
+      ;
+  };
+};
+
+void wrap_classC() {
+  C_wrapper::wrap();
+}
+
+BOOST_PYTHON_MODULE(moduleC)
+{
+  wrap_classC();
+}
+

Code/Demos/boost/EBV_err/wrapC.dsp

@@ -0,0 +1,150 @@
+# Microsoft Developer Studio Project File - Name="wrapC" - Package Owner=<4>
+# Microsoft Developer Studio Generated Build File, Format Version 6.00
+# ** DO NOT EDIT **
+
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+
+CFG=wrapC - Win32 DebugPython
+!MESSAGE This is not a valid makefile. To build this project using NMAKE,
+!MESSAGE use the Export Makefile command and run
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+!MESSAGE NMAKE /f "wrapC.mak".
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+!MESSAGE You can specify a configuration when running NMAKE
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+!MESSAGE 
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+!MESSAGE Possible choices for configuration are:
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+!MESSAGE "wrapC - Win32 Release" (based on "Win32 (x86) Dynamic-Link Library")
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+!MESSAGE "wrapC - Win32 DebugPython" (based on "Win32 (x86) Dynamic-Link Library")
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+!IF  "$(CFG)" == "wrapC - Win32 Release"
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+# PROP BASE Use_MFC 0
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+# PROP BASE Intermediate_Dir "Release"
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+# ADD BASE CPP /nologo /MT /W3 /GX /O2 /D "WIN32" /D "NDEBUG" /D "_WINDOWS" /YX /FD /c
+# ADD CPP /nologo /MD /W3 /GR /GX /O2 /I "$(RDBASE)/External/oelib" /I "$(RDBASE)/Code/GraphMol" /I "$(PYTHONHOME)\include" /I "$(RDBASE)/External/$(BOOSTBASE)" /I "$(RDBASE)/Code" /I "$(RDBASE)/External/vflib-2.0/include" /D "WIN32" /D "NDEBUG" /D "_WINDOWS" /FD /Zm400 /c
+# ADD BASE MTL /nologo /D "NDEBUG" /mktyplib203 /win32
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+# ADD LINK32 boost_python.lib kernel32.lib user32.lib gdi32.lib winspool.lib comdlg32.lib advapi32.lib shell32.lib ole32.lib oleaut32.lib uuid.lib odbc32.lib odbccp32.lib $(PYTHONVERS).lib BLAS.lib LAPACK.lib /nologo /subsystem:windows /dll /machine:I386 /nodefaultlib:"msvcprtdlib.lib" /out:"Release/moduleC.dll" /libpath:"$(PYTHONHOME)\libs" /libpath:"$(RDBASE)\External\Lapack\win32" /libpath:"$(RDBASE)/External/$(BOOSTBASE)/libs/python/build/bin/boost_python.dll/msvc/release/runtime-link-dynamic/"
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+# End Special Build Tool
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+# ADD BASE MTL /nologo /D "_DEBUG" /mktyplib203 /win32
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+# ADD BASE RSC /l 0x409 /d "_DEBUG"
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+BSC32=bscmake.exe
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+# ADD BASE LINK32 kernel32.lib user32.lib gdi32.lib winspool.lib comdlg32.lib advapi32.lib shell32.lib ole32.lib oleaut32.lib uuid.lib odbc32.lib odbccp32.lib /nologo /subsystem:windows /dll /debug /machine:I386 /pdbtype:sept
+# ADD LINK32 boost_python_debug.lib kernel32.lib user32.lib gdi32.lib winspool.lib comdlg32.lib advapi32.lib shell32.lib ole32.lib oleaut32.lib uuid.lib odbc32.lib odbccp32.lib $(PYTHONVERS).lib /nologo /subsystem:windows /dll /debug /machine:I386 /nodefaultlib:"msvcprtdlib.lib" /out:"moduleC.dll" /pdbtype:sept /libpath:"$(PYTHONHOME)\libs" /libpath:"$(RDBASE)/External/$(BOOSTBASE)/libs/python/build/bin-stage"
+# SUBTRACT LINK32 /nodefaultlib
+
+!ELSEIF  "$(CFG)" == "wrapC - Win32 DebugPython"
+
+# PROP BASE Use_MFC 0
+# PROP BASE Use_Debug_Libraries 1
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+# PROP BASE Intermediate_Dir "wrapC_Win32_DebugPython"
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+F90=df.exe
+# ADD BASE CPP /nologo /MTd /W3 /Gm /GX /ZI /Od /D "WIN32" /D "_DEBUG" /D "_WINDOWS" /YX /FD /GZ /c
+# ADD CPP /nologo /MDd /W3 /GR /GX /Zi /Od /I "$(RDBASE)\external\boost_1_24_0" /I "$(RDBASE)/Code/GraphMol" /I "$(PYTHONHOME)\include" /I "$(RDBASE)/External/$(BOOSTBASE)" /I "$(RDBASE)/Code" /I "$(RDBASE)/External/vflib-2.0/include" /D "WIN32" /D "_DEBUG" /D "_WINDOWS" /D "_MBCS" /D "_USRDLL" /D "TEST_EXPORTS" /D "BOOST_DEBUG_PYTHON" /FD /GZ /Zm400 /c
+# ADD BASE MTL /nologo /D "_DEBUG" /mktyplib203 /win32
+# ADD MTL /nologo /D "_DEBUG" /mktyplib203 /win32
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+# ADD LINK32 boost_python.lib, vflib.lib,libDatastructs.lib kernel32.lib user32.lib gdi32.lib winspool.lib comdlg32.lib advapi32.lib shell32.lib ole32.lib oleaut32.lib uuid.lib odbc32.lib odbccp32.lib $(PYTHONVERS).lib BLAS.lib LAPACK.lib boost_python.lib /nologo /subsystem:windows /dll /debug /machine:I386 /nodefaultlib:"msvcprtdlib.lib" /out:"DebugPython/moduleC_d.dll" /pdbtype:sept /libpath:"c:\python20\activepython-2.0.0-202\src\core\pcbuild" /libpath:"$(BOOSTBASE)\libs\python\build\bin-stage" /libpath:"$(PYTHONHOME)\libs" /libpath:"$(RDBASE)\External\Lapack\win32" /libpath:"$(RDBASE)/External/$(BOOSTBASE)/libs/python/build/bin-stage"
+# Begin Special Build Tool
+SOURCE="$(InputPath)"
+PostBuild_Desc=copy dll
+PostBuild_Cmds=copy DebugPython\moduleC_d.dll $(RDBASE)\Python\Chem
+# End Special Build Tool
+
+!ENDIF 
+
+# Begin Target
+
+# Name "wrapC - Win32 Release"
+# Name "wrapC - Win32 Debug"
+# Name "wrapC - Win32 DebugPython"
+# Begin Group "Source Files"
+
+# PROP Default_Filter "cpp;c;cxx;rc;def;r;odl;idl;hpj;bat"
+# Begin Source File
+
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+# End Source File
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+# Begin Group "Header Files"
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+# PROP Default_Filter "h;hpp;hxx;hm;inl"
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+# PROP Default_Filter "ico;cur;bmp;dlg;rc2;rct;bin;rgs;gif;jpg;jpeg;jpe"
+# End Group
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+# End Project

Code/Demos/boost/any_container/Makefile

@@ -0,0 +1,4 @@
+CXXFLAGS=-g -I$(RDBASE)/External/$(BOOSTBASE) -I$(RDBASE)/Code/GraphMol
+
+dict.exe: dict.o $(RDBASE)/Code/GraphMol/Invariant/Invariant.o
+	g++ -o dict.exe $(CFLAGS) dict.o $(RDBASE)/Code/GraphMol/Invariant/Invariant.o

Code/Demos/boost/any_container/any_container.dsp

@@ -0,0 +1,103 @@
+# Microsoft Developer Studio Project File - Name="any_container_test" - Package Owner=<4>
+# Microsoft Developer Studio Generated Build File, Format Version 6.00
+# ** DO NOT EDIT **
+
+# TARGTYPE "Win32 (x86) Console Application" 0x0103
+
+CFG=any_container_test - Win32 Debug
+!MESSAGE This is not a valid makefile. To build this project using NMAKE,
+!MESSAGE use the Export Makefile command and run
+!MESSAGE 
+!MESSAGE NMAKE /f "any_container_test.mak".
+!MESSAGE 
+!MESSAGE You can specify a configuration when running NMAKE
+!MESSAGE by defining the macro CFG on the command line. For example:
+!MESSAGE 
+!MESSAGE NMAKE /f "any_container_test.mak" CFG="any_container_test - Win32 Debug"
+!MESSAGE 
+!MESSAGE Possible choices for configuration are:
+!MESSAGE 
+!MESSAGE "any_container_test - Win32 Release" (based on "Win32 (x86) Console Application")
+!MESSAGE "any_container_test - Win32 Debug" (based on "Win32 (x86) Console Application")
+!MESSAGE 
+
+# Begin Project
+# PROP AllowPerConfigDependencies 0
+# PROP Scc_ProjName ""
+# PROP Scc_LocalPath ""
+CPP=cl.exe
+RSC=rc.exe
+
+!IF  "$(CFG)" == "any_container_test - Win32 Release"
+
+# PROP BASE Use_MFC 0
+# PROP BASE Use_Debug_Libraries 0
+# PROP BASE Output_Dir "Release"
+# PROP BASE Intermediate_Dir "Release"
+# PROP BASE Target_Dir ""
+# PROP Use_MFC 0
+# PROP Use_Debug_Libraries 0
+# PROP Output_Dir "Release"
+# PROP Intermediate_Dir "Release"
+# PROP Target_Dir ""
+LIB32=link.exe -lib
+# ADD BASE CPP /nologo /W3 /GX /O2 /D "WIN32" /D "NDEBUG" /D "_CONSOLE" /D "_MBCS" /YX /FD /c
+# ADD CPP /nologo /MD /W3 /GX /O2 /I "$(RDBASE)/External/$(BOOSTBASE)" /I "." /I "$(RDBASE)/Code" /D "WIN32" /D "NDEBUG" /D "_CONSOLE" /D "_MBCS" /YX /FD /c
+# ADD BASE RSC /l 0x409 /d "NDEBUG"
+# ADD RSC /l 0x409 /d "NDEBUG"
+BSC32=bscmake.exe
+# ADD BASE BSC32 /nologo
+# ADD BSC32 /nologo
+LINK32=link.exe
+# ADD BASE LINK32 kernel32.lib user32.lib gdi32.lib winspool.lib comdlg32.lib advapi32.lib shell32.lib ole32.lib oleaut32.lib uuid.lib odbc32.lib odbccp32.lib  kernel32.lib user32.lib gdi32.lib winspool.lib comdlg32.lib advapi32.lib shell32.lib ole32.lib oleaut32.lib uuid.lib odbc32.lib odbccp32.lib /nologo /subsystem:console /machine:I386
+# ADD LINK32 kernel32.lib user32.lib gdi32.lib winspool.lib comdlg32.lib advapi32.lib shell32.lib ole32.lib oleaut32.lib uuid.lib odbc32.lib odbccp32.lib  kernel32.lib user32.lib gdi32.lib winspool.lib comdlg32.lib advapi32.lib shell32.lib ole32.lib oleaut32.lib uuid.lib odbc32.lib odbccp32.lib /nologo /subsystem:console /machine:I386
+
+!ELSEIF  "$(CFG)" == "any_container_test - Win32 Debug"
+
+# PROP BASE Use_MFC 0
+# PROP BASE Use_Debug_Libraries 1
+# PROP BASE Output_Dir "any_container_test___Win32_Debug"
+# PROP BASE Intermediate_Dir "any_container_test___Win32_Debug"
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+# PROP Use_MFC 0
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+# PROP Output_Dir "any_container_test___Win32_Debug"
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+# ADD BASE CPP /nologo /W3 /Gm /GX /ZI /Od /D "WIN32" /D "_DEBUG" /D "_CONSOLE" /D "_MBCS" /YX /FD /GZ  /c
+# ADD CPP /nologo /MDd /W3 /Gm /GX /ZI /Od /I "$(RDBASE)/External/$(BOOSTBASE)" /I "." /I "$(RDBASE)/Code" /D "WIN32" /D "_DEBUG" /D "_CONSOLE" /D "_MBCS" /FD /GZ  /c
+# SUBTRACT CPP /YX
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+# ADD RSC /l 0x409 /d "_DEBUG"
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+# ADD BASE BSC32 /nologo
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+# ADD BASE LINK32 kernel32.lib user32.lib gdi32.lib winspool.lib comdlg32.lib advapi32.lib shell32.lib ole32.lib oleaut32.lib uuid.lib odbc32.lib odbccp32.lib  kernel32.lib user32.lib gdi32.lib winspool.lib comdlg32.lib advapi32.lib shell32.lib ole32.lib oleaut32.lib uuid.lib odbc32.lib odbccp32.lib /nologo /subsystem:console /debug /machine:I386 /pdbtype:sept
+# ADD LINK32 kernel32.lib user32.lib gdi32.lib winspool.lib comdlg32.lib advapi32.lib shell32.lib ole32.lib oleaut32.lib uuid.lib odbc32.lib odbccp32.lib  kernel32.lib user32.lib gdi32.lib winspool.lib comdlg32.lib advapi32.lib shell32.lib ole32.lib oleaut32.lib uuid.lib odbc32.lib odbccp32.lib /nologo /subsystem:console /debug /machine:I386 /pdbtype:sept
+
+!ENDIF 
+
+# Begin Target
+
+# Name "any_container_test - Win32 Release"
+# Name "any_container_test - Win32 Debug"
+# Begin Group "Source Files"
+
+# PROP Default_Filter "cpp;c;cxx;rc;def;r;odl;idl;hpj;bat"
+# Begin Source File
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+# PROP Default_Filter "ico;cur;bmp;dlg;rc2;rct;bin;rgs;gif;jpg;jpeg;jpe"
+# End Group
+# End Target
+# End Project

Code/Demos/boost/any_container/dict.cpp

@@ -0,0 +1,273 @@
+
+#include <map>
+#include <boost/any.hpp>
+#include <boost/lexical_cast.hpp>
+#include <boost/smart_ptr.hpp>
+#include <string>
+#include <iostream>
+#include <Invariant/Invariant.h>
+
+int idx=0;
+
+class Contained {
+public:
+  Contained() : _idx(idx) {
+    std::cout << "Contained CTOR:" << _idx << std::endl;
+    idx++;
+  }
+  ~Contained() {
+    std::cout << "Contained DTOR:" << _idx << std::endl;
+  }
+  Contained( const Contained &other) : _idx(other._idx) {
+    std::cout << "Contained Copy CTOR:" << _idx << std::endl;
+  }
+  Contained &operator=( const Contained &other) {
+    _idx = other._idx;
+    std::cout << "Contained Assign:" << _idx << std::endl;
+    return *this;
+  }
+  int _idx;
+};
+
+
+  template <typename T>
+  struct larger_of {
+    T operator()(T arg1,T arg2) { return arg1>arg2 ? arg1 : arg2; };
+  };
+
+
+  struct charptr_functor {
+    bool operator()(const char* s1, const char* s2) const
+    {
+      return strcmp(s1, s2) < 0;
+    };
+  };
+  
+
+class Dict {
+  public:
+    typedef std::map<const char *,boost::any,charptr_functor> DataType;
+    Dict() {_data.clear();};
+    Dict(const Dict &other) { _data = other._data; };
+    Dict &operator=(const Dict &other) {
+      _data = other._data;
+      return *this;
+    };
+    
+    bool hasVal(const char *what) const {
+      //DataType::const_iterator i;
+      //std::cerr << "\t\tpre: ";
+      //for(i=_data.begin();i!=_data.end();i++){
+      //std::cerr << (*i).first << " ";
+      //}
+      //std::cerr << std::endl;
+      //std::cerr << "\thasVal: " << what << ": " << _data.count(what) << std::endl;
+      //std::cerr << "\t\tpost: ";
+      //for(i=_data.begin();i!=_data.end();i++){
+      //std::cerr << (*i).first << " ";
+      //}
+      //std::cerr << std::endl;
+      return _data.count(what);
+    };
+    bool hasVal(const std::string &what) const {
+      return hasVal(what.c_str());
+    };
+    
+    //
+    //  We're going to try and be somewhat crafty about this getVal stuff to make these
+    //  containers a little bit more generic.  The normal behavior here is that the
+    //  value being queried must be directly castable to type T.  We'll robustify a
+    //  little bit by trying that and, if the cast fails, attempting a couple of 
+    //  other casts, which will then be lexically cast to type T.
+    //
+    template <typename T>
+    void getVal(const char *what,T &res) const {
+      PRECONDITION(hasVal(what),"getVal called on non-existent key");
+      const boost::any &val = _data.find(what)->second;
+      res = boost::any_cast<T>(val);
+    };
+
+    void getVal(const char *what,std::string &res) const {
+      PRECONDITION(hasVal(what),"getVal called on non-existent key");
+      const boost::any &val = _data.find(what)->second;
+      try{
+	res = boost::any_cast<std::string>(val);
+      } catch (const boost::bad_any_cast &) {
+	if(val.type()==typeid(int)){
+	  res = boost::lexical_cast<std::string>(boost::any_cast<int>(val));
+	} else if(val.type()==typeid(long)){
+	  res = boost::lexical_cast<std::string>(boost::any_cast<long>(val));
+	} else if(val.type()==typeid(float)){
+	  res = boost::lexical_cast<std::string>(boost::any_cast<float>(val));
+	} else if(val.type()==typeid(double)){
+	  res = boost::lexical_cast<std::string>(boost::any_cast<double>(val));
+	} else if(val.type()==typeid(const char *)){
+	  res = std::string(boost::any_cast<const char *>(val));
+	} else {
+	  throw;
+	}
+      }
+    };
+
+
+    template <typename T>
+    void getVal(const std::string &what,T &res) const { getVal(what.c_str(),res); };
+
+    template <typename T>
+    void setVal(const char *what,T &val){
+      _data[what] = boost::any(val);
+    };
+    template <typename T>
+    void setVal(const std::string &what,T &val) { setVal(what.c_str(),val); };
+
+    void clearVal(const char *what) { _data.erase(what); };
+
+    void reset() { _data.clear(); };
+
+  private:
+    DataType _data;
+
+  };
+
+
+void test1(){
+  // basic containers
+  std::cout << "----------- TEST1 -----------" << std::endl;
+
+  Contained c;
+  TEST_ASSERT(c._idx==0);
+  Contained d(c);
+  TEST_ASSERT(d._idx==0);
+  Contained e;
+  TEST_ASSERT(e._idx==1);
+  std::cout << "assign" << std::endl;
+  e=c;
+  TEST_ASSERT(e._idx==0);
+
+
+  std::cout <<" Done" << std::endl;
+}
+
+void test2(){
+  // shared pointers with containers
+  std::cout << "----------- TEST2 -----------" << std::endl;
+
+  typedef boost::shared_ptr<Contained> CONT_SPTR;
+  CONT_SPTR s_d(new Contained());
+  TEST_ASSERT(s_d.use_count()==1);
+  CONT_SPTR s_e=s_d;
+  TEST_ASSERT(s_e.use_count()==2);
+  s_d.reset();
+  TEST_ASSERT(s_e.use_count()==1);
+  s_e.reset();
+
+  std::cout <<" Done" << std::endl;
+}
+
+
+void test3(){
+  // basic dict stuff
+  std::cout << "----------- TEST3 -----------" << std::endl;
+
+  Dict dict;
+  TEST_ASSERT(!dict.hasVal("foo"));
+
+  int tmp=4;
+  dict.setVal("foo",tmp);
+  TEST_ASSERT(dict.hasVal("foo"));
+  tmp=0;
+  dict.getVal("foo",tmp);
+  TEST_ASSERT(tmp==4);
+
+  Dict d2(dict);
+  TEST_ASSERT(d2.hasVal("foo"));
+  d2.getVal("foo",tmp);
+  TEST_ASSERT(tmp==4);
+
+  Dict d3;
+  d3=d2;
+  TEST_ASSERT(d3.hasVal("foo"));
+  d3.getVal("foo",tmp);
+  TEST_ASSERT(tmp==4);
+  
+  std::cout <<" Done" << std::endl;
+}
+
+void test4(){
+  // dict containing Contained objects
+  std::cout << "----------- TEST4 -----------" << std::endl;
+
+  Dict dict;
+  TEST_ASSERT(!dict.hasVal("foo"));
+
+  Contained tmp;
+  int hold=tmp._idx;
+  std::cout << " set" << std::endl;
+  dict.setVal("foo",tmp);
+  std::cout << " query" << std::endl;
+  TEST_ASSERT(dict.hasVal("foo"));
+  std::cout << " get" << std::endl;
+  dict.getVal("foo",tmp);
+  TEST_ASSERT(tmp._idx==hold);
+
+  std::cout << " copy" << std::endl;
+  Dict d2(dict);
+  TEST_ASSERT(d2.hasVal("foo"));
+  d2.getVal("foo",tmp);
+  TEST_ASSERT(tmp._idx==hold);
+
+
+  Dict d3;
+  d3=d2;
+  TEST_ASSERT(d3.hasVal("foo"));
+  d3.getVal("foo",tmp);
+  TEST_ASSERT(tmp._idx==hold);
+
+  
+  std::cout <<" Done" << std::endl;
+}
+
+void test5(){
+  // dict containing sptrs to Contained objects
+  std::cout << "----------- TEST5 -----------" << std::endl;
+  typedef boost::shared_ptr<Contained> CONT_SPTR;
+
+  Dict dict;
+  TEST_ASSERT(!dict.hasVal("foo"));
+
+  CONT_SPTR tmp(new Contained());
+  int hold=tmp->_idx;
+  std::cout << " set" << std::endl;
+  dict.setVal("foo",tmp);
+  std::cout << " query" << std::endl;
+  TEST_ASSERT(dict.hasVal("foo"));
+  std::cout << " get" << std::endl;
+  dict.getVal("foo",tmp);
+  TEST_ASSERT(tmp->_idx==hold);
+
+  std::cout << " copy" << std::endl;
+  Dict d2(dict);
+  TEST_ASSERT(d2.hasVal("foo"));
+  d2.getVal("foo",tmp);
+  TEST_ASSERT(tmp->_idx==hold);
+
+
+  Dict d3;
+  d3=d2;
+  TEST_ASSERT(d3.hasVal("foo"));
+  d3.getVal("foo",tmp);
+  TEST_ASSERT(tmp->_idx==hold);
+
+  
+  std::cout <<" Done" << std::endl;
+}
+
+
+int main(){
+  test1();
+  test2();
+  test3();
+  test4();
+  test5();
+  
+}

Code/Demos/boost/cross_mod_err/classA.h

@@ -0,0 +1,42 @@
+#include <map>
+#include <iostream>
+#include <string>
+
+
+#ifndef CLASSA_H
+#define CLASSA_H
+
+#ifdef WIN32
+#pragma warning (disable: 4786) // warning: long & complicated stl warning
+#pragma warning (disable: 4788) // warning: long & complicated stl warning
+#pragma warning (disable: 4660)
+#pragma warning (disable: 4275) // warning: non dll-interface class used as...
+#pragma warning (disable: 4305) // warning: truncation from 'const double' to 'const float' 
+#endif
+
+class classA {
+ public:
+  classA() {
+    setProp("useless", 10);
+  };
+  ~classA() {}
+  
+  void printA() const {
+    if (hasProp("useless")) {
+      std::cout << "has useless\n";
+    }
+  }
+
+  bool hasProp(std::string key) const {
+    return (dp_props.find(key) != dp_props.end());
+  }
+
+  void setProp(std::string key, int val) {
+    dp_props[key] = val;
+  }
+
+ private:
+  std::map<std::string, int> dp_props;
+};
+
+#endif

Code/Demos/boost/cross_mod_err/classC.h

@@ -0,0 +1,54 @@
+#include <map>
+#include <iostream>
+#include <string>
+#include <vector>
+
+#ifndef CLASSC_H
+#define CLASSC_H
+
+#ifdef WIN32
+#pragma warning (disable: 4786) // warning: long & complicated stl warning
+#pragma warning (disable: 4788) // warning: long & complicated stl warning
+#pragma warning (disable: 4660)
+#pragma warning (disable: 4275) // warning: non dll-interface class used as...
+#pragma warning (disable: 4305) // warning: truncation from 'const double' to 'const float' 
+#endif
+
+typedef std::pair<std::string, int> STR_INT;
+typedef std::vector<STR_INT> PAIR_VECT;
+
+class classC {
+  
+ public:
+  classC() {
+    setProp("useless", 10);
+  };
+  ~classC() {}
+  
+  void printC() const {
+    if (hasProp("useless")) {
+      std::cout << "has useless\n";
+    }
+  }
+
+  bool hasProp(std::string key) const {
+    PAIR_VECT::const_iterator pvi;
+    for (pvi = dp_props.begin(); pvi != dp_props.end(); pvi++) {
+      if (pvi->first == key) {
+        return true;
+      }
+    }
+    return false; 
+  }
+
+  void setProp(std::string key, int val) {
+    std::pair<std::string, int> newp(key, val);
+    dp_props.push_back(newp);
+  }
+
+ private:
+  PAIR_VECT dp_props;
+  
+};
+
+#endif

Code/Demos/boost/cross_mod_err/crossMod.dsw

@@ -0,0 +1,53 @@
+Microsoft Developer Studio Workspace File, Format Version 6.00
+# WARNING: DO NOT EDIT OR DELETE THIS WORKSPACE FILE!
+
+###############################################################################
+
+Project: "moduleB"=.\wrapB.dsp - Package Owner=<4>
+
+Package=<5>
+{{{
+}}}
+
+Package=<4>
+{{{
+}}}
+
+###############################################################################
+
+Project: "wrapA"=.\wrapA.dsp - Package Owner=<4>
+
+Package=<5>
+{{{
+}}}
+
+Package=<4>
+{{{
+}}}
+
+###############################################################################
+
+Project: "wrapC"=.\wrapC.dsp - Package Owner=<4>
+
+Package=<5>
+{{{
+}}}
+
+Package=<4>
+{{{
+}}}
+
+###############################################################################
+
+Global:
+
+Package=<5>
+{{{
+}}}
+
+Package=<3>
+{{{
+}}}
+
+###############################################################################
+

Code/Demos/boost/cross_mod_err/moduleB.cpp

@@ -0,0 +1,21 @@
+#include <boost/python.hpp>
+#include "classA.h"
+#include "classC.h"
+
+namespace python = boost::python;
+
+void testCrossA(classA *A) {
+  A->printA();
+};
+
+void testCrossC(classC *C) {
+  C->printC();
+};
+
+
+BOOST_PYTHON_MODULE(moduleB) 
+{
+  python::def("testCrossA", testCrossA);
+  python::def("testCrossC", testCrossC);
+  
+}

Code/Demos/boost/cross_mod_err/setup.py

@@ -0,0 +1,51 @@
+# Run this with:
+#  python setup.py install --install-lib=.
+from distutils.core import setup,Extension
+import RDConfig
+
+# force the use of g++ please
+from distutils import sysconfig
+save_init_posix = sysconfig._init_posix
+def my_init_posix():
+    print 'my_init_posix: changing gcc to g++'
+    save_init_posix()
+    g = sysconfig.get_config_vars()
+    g['CC'] = 'g++'
+    g['LDSHARED'] = 'g++ -shared'
+    g['PY_CFLAGS']= g['PY_CFLAGS'].replace('-O3','')
+sysconfig._init_posix = my_init_posix
+
+
+destDir = RDConfig.RDCodeDir
+extDir=RDConfig.RDBaseDir+"/External"
+# this is how things are done with BPLv2
+boostInc = '-isystem%s'%(extDir+"/boost_1_30_0")
+incDirs = []
+# FIX: there's gotta be a better way of doing this
+pyLibDir = '/usr/lib/python2.2/config'
+boostLibDir=extDir+"/boost_1_30_0/libs/python/build/bin/libboost_python.so/gcc/debug/runtime-link-dynamic/shared-linkable-true/"
+boostLib="boost_python"
+libDirs=[boostLibDir,pyLibDir]
+libraries=[boostLib,"python2.2"]  # have to include g++ here or we get link errors with boost
+
+compileArgs=['-ftemplate-depth-150',
+	     '-DBOOST_PYTHON_DYNAMIC_LIB',
+	     boostInc,
+	     ]
+setup(name="crossTest",version="1.0",
+  ext_modules=[Extension("moduleA",["wrapA.cpp"],
+                         include_dirs=incDirs,
+                         library_dirs=libDirs,
+                         libraries=libraries,
+                         extra_compile_args=compileArgs),
+               Extension("moduleB",["moduleB.cpp"],
+                         include_dirs=incDirs,
+                         library_dirs=libDirs,
+                         libraries=libraries,
+                         extra_compile_args=compileArgs),
+               Extension("moduleC",["wrapC.cpp"],
+                         include_dirs=incDirs,
+                         library_dirs=libDirs,
+                         libraries=libraries,
+                         extra_compile_args=compileArgs)])
+

Code/Demos/boost/cross_mod_err/test.py

@@ -0,0 +1,28 @@
+import moduleA
+import moduleB
+import moduleC
+
+print "*****************************"
+print "Testing self print for classA"
+A = moduleA.classA()
+A.printA()
+print "*****************************"
+print
+
+print "*****************************"
+print "Testing self print for classC"
+C = moduleC.classC()
+C.printC()
+print "*****************************"
+print
+
+print "*****************************"
+print "Testing crossing C to B"
+moduleB.testCrossC(C)
+print "*****************************"
+print
+
+print "*****************************"
+print "Testing crossing A to B"
+moduleB.testCrossA(A)
+print "*****************************"

Code/Demos/boost/cross_mod_err/wrapA.cpp

@@ -0,0 +1,30 @@
+#include "classA.h"
+#include <boost/python.hpp>
+
+#ifdef WIN32
+#pragma warning (disable: 4786) // warning: long & complicated stl warning
+#pragma warning (disable: 4788) // warning: long & complicated stl warning
+#pragma warning (disable: 4660)
+#pragma warning (disable: 4275) // warning: non dll-interface class used as...
+#pragma warning (disable: 4305) // warning: truncation from 'const double' to 'const float' 
+#endif
+
+namespace python = boost::python;
+
+struct A_wrapper {
+  static void wrap() {
+    python::class_<classA>("classA", python::init<>())
+      .def("printA", &classA::printA)
+      ;
+  };
+};
+
+void wrap_classA() {
+  A_wrapper::wrap();
+}
+
+BOOST_PYTHON_MODULE(moduleA)
+{
+  wrap_classA();
+}
+

Code/Demos/boost/cross_mod_err/wrapA.dsp

@@ -0,0 +1,150 @@
+# Microsoft Developer Studio Project File - Name="wrapA" - Package Owner=<4>
+# Microsoft Developer Studio Generated Build File, Format Version 6.00
+# ** DO NOT EDIT **
+
+# TARGTYPE "Win32 (x86) Dynamic-Link Library" 0x0102
+
+CFG=wrapA - Win32 DebugPython
+!MESSAGE This is not a valid makefile. To build this project using NMAKE,
+!MESSAGE use the Export Makefile command and run
+!MESSAGE 
+!MESSAGE NMAKE /f "wrapA.mak".
+!MESSAGE 
+!MESSAGE You can specify a configuration when running NMAKE
+!MESSAGE by defining the macro CFG on the command line. For example:
+!MESSAGE 
+!MESSAGE NMAKE /f "wrapA.mak" CFG="wrapA - Win32 DebugPython"
+!MESSAGE 
+!MESSAGE Possible choices for configuration are:
+!MESSAGE 
+!MESSAGE "wrapA - Win32 Release" (based on "Win32 (x86) Dynamic-Link Library")
+!MESSAGE "wrapA - Win32 Debug" (based on "Win32 (x86) Dynamic-Link Library")
+!MESSAGE "wrapA - Win32 DebugPython" (based on "Win32 (x86) Dynamic-Link Library")
+!MESSAGE 
+
+# Begin Project
+# PROP AllowPerConfigDependencies 0
+# PROP Scc_ProjName "wrapA"
+# PROP Scc_LocalPath "."
+CPP=cl.exe
+MTL=midl.exe
+RSC=rc.exe
+
+!IF  "$(CFG)" == "wrapA - Win32 Release"
+
+# PROP BASE Use_MFC 0
+# PROP BASE Use_Debug_Libraries 0
+# PROP BASE Output_Dir "Release"
+# PROP BASE Intermediate_Dir "Release"
+# PROP BASE Target_Dir ""
+# PROP Use_MFC 0
+# PROP Use_Debug_Libraries 0
+# PROP Output_Dir "Release"
+# PROP Intermediate_Dir "Release"
+# PROP Ignore_Export_Lib 1
+# PROP Target_Dir ""
+F90=df.exe
+# ADD BASE CPP /nologo /MT /W3 /GX /O2 /D "WIN32" /D "NDEBUG" /D "_WINDOWS" /YX /FD /c
+# ADD CPP /nologo /MD /W3 /GR /GX /O2 /I "$(RDBASE)/External/oelib" /I "$(RDBASE)/Code/GraphMol" /I "$(PYTHONHOME)\include" /I "$(RDBASE)/External/$(BOOSTBASE)" /I "$(RDBASE)/Code" /I "$(RDBASE)/External/vflib-2.0/include" /D "WIN32" /D "NDEBUG" /D "_WINDOWS" /FD /Zm400 /c
+# ADD BASE MTL /nologo /D "NDEBUG" /mktyplib203 /win32
+# ADD MTL /nologo /D "NDEBUG" /mktyplib203 /win32
+# ADD BASE RSC /l 0x409 /d "NDEBUG"
+# ADD RSC /l 0x409 /d "NDEBUG"
+BSC32=bscmake.exe
+# ADD BASE BSC32 /nologo
+# ADD BSC32 /nologo
+LINK32=link.exe
+# ADD BASE LINK32 kernel32.lib user32.lib gdi32.lib winspool.lib comdlg32.lib advapi32.lib shell32.lib ole32.lib oleaut32.lib uuid.lib odbc32.lib odbccp32.lib /nologo /subsystem:windows /dll /machine:I386
+# ADD LINK32 boost_python.lib kernel32.lib user32.lib gdi32.lib winspool.lib comdlg32.lib advapi32.lib shell32.lib ole32.lib oleaut32.lib uuid.lib odbc32.lib odbccp32.lib $(PYTHONVERS).lib BLAS.lib LAPACK.lib /nologo /subsystem:windows /dll /machine:I386 /nodefaultlib:"msvcprtdlib.lib" /out:"Release/moduleA.dll" /libpath:"$(PYTHONHOME)\libs" /libpath:"$(RDBASE)\External\Lapack\win32" /libpath:"$(RDBASE)/External/$(BOOSTBASE)/libs/python/build/bin/boost_python.dll/msvc/release/runtime-link-dynamic/"
+# SUBTRACT LINK32 /verbose /pdb:none /incremental:yes
+# Begin Special Build Tool
+SOURCE="$(InputPath)"
+PostBuild_Desc=copy dll
+PostBuild_Cmds=copy        Release\moduleA.dll      $(RDBASE)\Python\Chem
+# End Special Build Tool
+
+!ELSEIF  "$(CFG)" == "wrapA - Win32 Debug"
+
+# PROP BASE Use_MFC 0
+# PROP BASE Use_Debug_Libraries 1
+# PROP BASE Output_Dir "Debug"
+# PROP BASE Intermediate_Dir "Debug"
+# PROP BASE Target_Dir ""
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+# PROP Output_Dir "Debug"
+# PROP Intermediate_Dir "Debug"
+# PROP Ignore_Export_Lib 1
+# PROP Target_Dir ""
+F90=df.exe
+# ADD BASE CPP /nologo /MTd /W3 /Gm /GX /ZI /Od /D "WIN32" /D "_DEBUG" /D "_WINDOWS" /YX /FD /GZ /c
+# ADD CPP /nologo /MDd /W3 /GR /GX /Zi /Od /I "$(RDBASE)/External/oelib" /I "$(RDBASE)/Code/GraphMol" /I "$(PYTHONHOME)\include" /I "$(RDBASE)/External/$(BOOSTBASE)" /I "$(RDBASE)/Code" /I "$(RDBASE)/External/vflib-2.0/include" /D "WIN32" /D "_DEBUG" /D "_WINDOWS" /FD /GZ /Zm400 /c
+# ADD BASE MTL /nologo /D "_DEBUG" /mktyplib203 /win32
+# ADD MTL /nologo /D "_DEBUG" /mktyplib203 /win32
+# ADD BASE RSC /l 0x409 /d "_DEBUG"
+# ADD RSC /l 0x409 /d "_DEBUG"
+BSC32=bscmake.exe
+# ADD BASE BSC32 /nologo
+# ADD BSC32 /nologo
+LINK32=link.exe
+# ADD BASE LINK32 kernel32.lib user32.lib gdi32.lib winspool.lib comdlg32.lib advapi32.lib shell32.lib ole32.lib oleaut32.lib uuid.lib odbc32.lib odbccp32.lib /nologo /subsystem:windows /dll /debug /machine:I386 /pdbtype:sept
+# ADD LINK32 boost_python_debug.lib kernel32.lib user32.lib gdi32.lib winspool.lib comdlg32.lib advapi32.lib shell32.lib ole32.lib oleaut32.lib uuid.lib odbc32.lib odbccp32.lib $(PYTHONVERS).lib /nologo /subsystem:windows /dll /debug /machine:I386 /nodefaultlib:"msvcprtdlib.lib" /out:"moduleA.dll" /pdbtype:sept /libpath:"$(PYTHONHOME)\libs" /libpath:"$(RDBASE)/External/$(BOOSTBASE)/libs/python/build/bin-stage"
+# SUBTRACT LINK32 /nodefaultlib
+
+!ELSEIF  "$(CFG)" == "wrapA - Win32 DebugPython"
+
+# PROP BASE Use_MFC 0
+# PROP BASE Use_Debug_Libraries 1
+# PROP BASE Output_Dir "wrapA_Win32_DebugPython"
+# PROP BASE Intermediate_Dir "wrapA_Win32_DebugPython"
+# PROP BASE Target_Dir ""
+# PROP Use_MFC 0
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+# PROP Output_Dir "wrapA_Win32_DebugPython"
+# PROP Intermediate_Dir "wrapA_Win32_DebugPython"
+# PROP Ignore_Export_Lib 1
+# PROP Target_Dir ""
+F90=df.exe
+# ADD BASE CPP /nologo /MTd /W3 /Gm /GX /ZI /Od /D "WIN32" /D "_DEBUG" /D "_WINDOWS" /YX /FD /GZ /c
+# ADD CPP /nologo /MDd /W3 /GR /GX /Zi /Od /I "$(RDBASE)\external\boost_1_24_0" /I "$(RDBASE)/Code/GraphMol" /I "$(PYTHONHOME)\include" /I "$(RDBASE)/External/$(BOOSTBASE)" /I "$(RDBASE)/Code" /I "$(RDBASE)/External/vflib-2.0/include" /D "WIN32" /D "_DEBUG" /D "_WINDOWS" /D "_MBCS" /D "_USRDLL" /D "TEST_EXPORTS" /D "BOOST_DEBUG_PYTHON" /FD /GZ /Zm400 /c
+# ADD BASE MTL /nologo /D "_DEBUG" /mktyplib203 /win32
+# ADD MTL /nologo /D "_DEBUG" /mktyplib203 /win32
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+# ADD RSC /l 0x409 /d "_DEBUG"
+BSC32=bscmake.exe
+# ADD BASE BSC32 /nologo
+# ADD BSC32 /nologo
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Code/Demos/boost/cross_mod_err/wrapB.dsp

@@ -0,0 +1,150 @@
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Code/Demos/boost/cross_mod_err/wrapC.cpp

@@ -0,0 +1,30 @@
+#include "classC.h"
+#include <boost/python.hpp>
+
+#ifdef WIN32
+#pragma warning (disable: 4786) // warning: long & complicated stl warning
+#pragma warning (disable: 4788) // warning: long & complicated stl warning
+#pragma warning (disable: 4660)
+#pragma warning (disable: 4275) // warning: non dll-interface class used as...
+#pragma warning (disable: 4305) // warning: truncation from 'const double' to 'const float' 
+#endif
+
+namespace python = boost::python;
+
+struct C_wrapper {
+  static void wrap() {
+    python::class_<classC>("classC", python::init<>())
+      .def("printC", &classC::printC)
+      ;
+  };
+};
+
+void wrap_classC() {
+  C_wrapper::wrap();
+}
+
+BOOST_PYTHON_MODULE(moduleC)
+{
+  wrap_classC();
+}
+

Code/Demos/boost/cross_mod_err/wrapC.dsp

@@ -0,0 +1,150 @@
+# Microsoft Developer Studio Project File - Name="wrapC" - Package Owner=<4>
+# Microsoft Developer Studio Generated Build File, Format Version 6.00
+# ** DO NOT EDIT **
+
+# TARGTYPE "Win32 (x86) Dynamic-Link Library" 0x0102
+
+CFG=wrapC - Win32 DebugPython
+!MESSAGE This is not a valid makefile. To build this project using NMAKE,
+!MESSAGE use the Export Makefile command and run
+!MESSAGE 
+!MESSAGE NMAKE /f "wrapC.mak".
+!MESSAGE 
+!MESSAGE You can specify a configuration when running NMAKE
+!MESSAGE by defining the macro CFG on the command line. For example:
+!MESSAGE 
+!MESSAGE NMAKE /f "wrapC.mak" CFG="wrapC - Win32 DebugPython"
+!MESSAGE 
+!MESSAGE Possible choices for configuration are:
+!MESSAGE 
+!MESSAGE "wrapC - Win32 Release" (based on "Win32 (x86) Dynamic-Link Library")
+!MESSAGE "wrapC - Win32 Debug" (based on "Win32 (x86) Dynamic-Link Library")
+!MESSAGE "wrapC - Win32 DebugPython" (based on "Win32 (x86) Dynamic-Link Library")
+!MESSAGE 
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+# Begin Project
+# PROP AllowPerConfigDependencies 0
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+!IF  "$(CFG)" == "wrapC - Win32 Release"
+
+# PROP BASE Use_MFC 0
+# PROP BASE Use_Debug_Libraries 0
+# PROP BASE Output_Dir "Release"
+# PROP BASE Intermediate_Dir "Release"
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+F90=df.exe
+# ADD BASE CPP /nologo /MT /W3 /GX /O2 /D "WIN32" /D "NDEBUG" /D "_WINDOWS" /YX /FD /c
+# ADD CPP /nologo /MD /W3 /GR /GX /O2 /I "$(RDBASE)/External/oelib" /I "$(RDBASE)/Code/GraphMol" /I "$(PYTHONHOME)\include" /I "$(RDBASE)/External/$(BOOSTBASE)" /I "$(RDBASE)/Code" /I "$(RDBASE)/External/vflib-2.0/include" /D "WIN32" /D "NDEBUG" /D "_WINDOWS" /FD /Zm400 /c
+# ADD BASE MTL /nologo /D "NDEBUG" /mktyplib203 /win32
+# ADD MTL /nologo /D "NDEBUG" /mktyplib203 /win32
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+# ADD BASE BSC32 /nologo
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+# ADD BASE LINK32 kernel32.lib user32.lib gdi32.lib winspool.lib comdlg32.lib advapi32.lib shell32.lib ole32.lib oleaut32.lib uuid.lib odbc32.lib odbccp32.lib /nologo /subsystem:windows /dll /machine:I386
+# ADD LINK32 boost_python.lib kernel32.lib user32.lib gdi32.lib winspool.lib comdlg32.lib advapi32.lib shell32.lib ole32.lib oleaut32.lib uuid.lib odbc32.lib odbccp32.lib $(PYTHONVERS).lib BLAS.lib LAPACK.lib /nologo /subsystem:windows /dll /machine:I386 /nodefaultlib:"msvcprtdlib.lib" /out:"Release/moduleC.dll" /libpath:"$(PYTHONHOME)\libs" /libpath:"$(RDBASE)\External\Lapack\win32" /libpath:"$(RDBASE)/External/$(BOOSTBASE)/libs/python/build/bin/boost_python.dll/msvc/release/runtime-link-dynamic/"
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+F90=df.exe
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+# ADD BASE MTL /nologo /D "_DEBUG" /mktyplib203 /win32
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+# ADD RSC /l 0x409 /d "_DEBUG"
+BSC32=bscmake.exe
+# ADD BASE BSC32 /nologo
+# ADD BSC32 /nologo
+LINK32=link.exe
+# ADD BASE LINK32 kernel32.lib user32.lib gdi32.lib winspool.lib comdlg32.lib advapi32.lib shell32.lib ole32.lib oleaut32.lib uuid.lib odbc32.lib odbccp32.lib /nologo /subsystem:windows /dll /debug /machine:I386 /pdbtype:sept
+# ADD LINK32 boost_python_debug.lib kernel32.lib user32.lib gdi32.lib winspool.lib comdlg32.lib advapi32.lib shell32.lib ole32.lib oleaut32.lib uuid.lib odbc32.lib odbccp32.lib $(PYTHONVERS).lib /nologo /subsystem:windows /dll /debug /machine:I386 /nodefaultlib:"msvcprtdlib.lib" /out:"moduleC.dll" /pdbtype:sept /libpath:"$(PYTHONHOME)\libs" /libpath:"$(RDBASE)/External/$(BOOSTBASE)/libs/python/build/bin-stage"
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+
+!ELSEIF  "$(CFG)" == "wrapC - Win32 DebugPython"
+
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+# ADD BASE MTL /nologo /D "_DEBUG" /mktyplib203 /win32
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+# ADD LINK32 boost_python.lib, vflib.lib,libDatastructs.lib kernel32.lib user32.lib gdi32.lib winspool.lib comdlg32.lib advapi32.lib shell32.lib ole32.lib oleaut32.lib uuid.lib odbc32.lib odbccp32.lib $(PYTHONVERS).lib BLAS.lib LAPACK.lib boost_python.lib /nologo /subsystem:windows /dll /debug /machine:I386 /nodefaultlib:"msvcprtdlib.lib" /out:"DebugPython/moduleC_d.dll" /pdbtype:sept /libpath:"c:\python20\activepython-2.0.0-202\src\core\pcbuild" /libpath:"$(BOOSTBASE)\libs\python\build\bin-stage" /libpath:"$(PYTHONHOME)\libs" /libpath:"$(RDBASE)\External\Lapack\win32" /libpath:"$(RDBASE)/External/$(BOOSTBASE)/libs/python/build/bin-stage"
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+
+# Begin Target
+
+# Name "wrapC - Win32 Release"
+# Name "wrapC - Win32 Debug"
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+
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Code/Demos/boost/cross_module/moda.cpp

@@ -0,0 +1,15 @@
+//
+//  Copyright (C) 2003 Rational Discovery LLC
+//
+
+#include "mods.h"
+
+namespace python = boost::python;
+
+BOOST_PYTHON_MODULE(moda)
+{
+    python::class_<ClassA>("ClassA")
+      .def("Get4",&ClassA::get4)
+      ;
+
+}

Code/Demos/boost/cross_module/modb.cpp

@@ -0,0 +1,18 @@
+//
+//  Copyright (C) 2003 Rational Discovery LLC
+//
+
+#include "mods.h"
+
+namespace python = boost::python;
+
+BOOST_PYTHON_MODULE(modb)
+{
+    python::class_<ClassB>("ClassB")
+      .def("Get3",&ClassB::get3)
+      .def("ReturnOther",&ClassB::returnOther,
+	   python::return_value_policy<python::manage_new_object>())
+      .def("AcceptOther",&ClassB::acceptOther)
+      ;
+
+}

Code/Demos/boost/cross_module/mods.h

@@ -0,0 +1,18 @@
+//
+//  Copyright (C) 2003 Rational Discovery LLC
+//
+
+#include <boost/python.hpp>
+
+
+class ClassA{
+public:
+  int get4() { return 4; };
+};
+
+class ClassB{
+public:
+  ClassA *returnOther() { return new ClassA; };
+  int get3() { return 3; };
+  int acceptOther(ClassA *other) { return other->get4();};
+};

Code/Demos/boost/cross_module/readme.txt

@@ -0,0 +1 @@
+Demo showing how to deal with BPL-wrapped objects between modules.

Code/Demos/boost/cross_module/setup.py

@@ -0,0 +1,46 @@
+# Run this with:
+#  python setup.py install --install-lib=.
+from distutils.core import setup,Extension
+import RDConfig
+
+# force the use of g++ please
+from distutils import sysconfig
+save_init_posix = sysconfig._init_posix
+def my_init_posix():
+    print 'my_init_posix: changing gcc to g++'
+    save_init_posix()
+    g = sysconfig.get_config_vars()
+    g['CC'] = 'g++'
+    g['LDSHARED'] = 'g++ -shared'
+    g['PY_CFLAGS']= g['PY_CFLAGS'].replace('-O3','')
+sysconfig._init_posix = my_init_posix
+
+
+destDir = RDConfig.RDCodeDir
+extDir=RDConfig.RDBaseDir+"/External"
+# this is how things are done with BPLv2
+boostInc = '-isystem%s'%(extDir+"/boost_1_29_0")
+incDirs = []
+# FIX: there's gotta be a better way of doing this
+pyLibDir = '/usr/lib/python2.2/config'
+boostLibDir=extDir+"/boost_1_29_0/libs/python/build/bin/libboost_python.so/gcc/debug/runtime-link-dynamic/shared-linkable-true/"
+boostLib="boost_python"
+libDirs=[boostLibDir,pyLibDir]
+libraries=[boostLib,"python2.2"]  # have to include g++ here or we get link errors with boost
+
+compileArgs=['-ftemplate-depth-150',
+	     '-DBOOST_PYTHON_DYNAMIC_LIB',
+	     boostInc,
+	     ]
+setup(name="moda",version="1.0",
+  ext_modules=[Extension("moda",["moda.cpp"],
+                         include_dirs=incDirs,
+                         library_dirs=libDirs,
+                         libraries=libraries,
+                         extra_compile_args=compileArgs),
+               Extension("modb",["modb.cpp"],
+                         include_dirs=incDirs,
+                         library_dirs=libDirs,
+                         libraries=libraries,
+                         extra_compile_args=compileArgs)])
+

Code/Demos/boost/cross_module/test.py

@@ -0,0 +1,13 @@
+import moda
+import modb
+
+ca = moda.ClassA()
+print 'ca:',ca.Get4()
+
+cb = modb.ClassB()
+print 'cb:',cb.Get3()
+
+newca = cb.ReturnOther()
+print 'new:',newca.Get4()
+
+print 'arg:',cb.AcceptOther(newca)

Code/Demos/boost/numpy/linalg.cpp

@@ -0,0 +1,42 @@
+//
+//  Copyright (C) 2003 Rational Discovery LLC
+//
+
+#include <boost/python.hpp>
+#include <boost/python/numeric.hpp>
+#define PY_ARRAY_UNIQUE_SYMBOL RD_array_API
+#include "Numeric/arrayobject.h"
+
+
+namespace python = boost::python;
+
+double GetFirstElement(python::numeric::array &x){
+  PyArrayObject *ptr = (PyArrayObject *)x.ptr();
+  void* data = ptr->data;
+  double res=0.0;
+
+  switch(ptr->descr->type_num)
+    {
+    case PyArray_DOUBLE:
+      res = ((double *)data)[0];
+      break;
+    case PyArray_FLOAT:
+      res = (double)((float *)data)[0];
+      break;
+    case PyArray_LONG:
+      res = (double)((long *)data)[0];
+      break;
+    case PyArray_INT:
+      res = (double)((int *)data)[0];
+      break;
+    }
+  return res;
+  
+}
+
+
+BOOST_PYTHON_MODULE(linalg)
+{
+  python::def("GetFirstElement",GetFirstElement);
+
+}

Code/Demos/boost/numpy/setup.py

@@ -0,0 +1,42 @@
+# Run this with:
+#  python setup.py install --install-lib=.
+from distutils.core import setup,Extension
+import RDConfig
+
+# force the use of g++ please
+from distutils import sysconfig
+save_init_posix = sysconfig._init_posix
+def my_init_posix():
+    print 'my_init_posix: changing gcc to g++'
+    save_init_posix()
+    g = sysconfig.get_config_vars()
+    g['CC'] = 'g++'
+    g['LDSHARED'] = 'g++ -shared'
+    g['PY_CFLAGS']= g['PY_CFLAGS'].replace('-O3','')
+sysconfig._init_posix = my_init_posix
+
+
+destDir = RDConfig.RDCodeDir
+extDir=RDConfig.RDBaseDir+"/External"
+# this is how things are done with BPLv2
+boostInc = '-isystem%s'%(extDir+"/boost_1_29_0")
+incDirs = []
+# FIX: there's gotta be a better way of doing this
+pyLibDir = '/usr/lib/python2.2/config'
+boostLibDir=extDir+"/boost_1_29_0/libs/python/build/bin/libboost_python.so/gcc/debug/runtime-link-dynamic/shared-linkable-true/"
+boostLib="boost_python"
+libDirs=[boostLibDir,pyLibDir]
+libraries=[boostLib,"python2.2"]  # have to include g++ here or we get link errors with boost
+
+compileArgs=['-ftemplate-depth-150',
+	     '-DBOOST_PYTHON_DYNAMIC_LIB',
+	     boostInc,
+	     ]
+setup(name="demo",version="1.0",
+  ext_modules=[Extension("linalg",["linalg.cpp"],
+                         include_dirs=incDirs,
+                         library_dirs=libDirs,
+                         libraries=libraries,
+                         extra_compile_args=compileArgs)])
+
+

Code/Demos/boost/numpy/test.py

@@ -0,0 +1,7 @@
+from Numeric import *
+import linalg
+
+print linalg.GetFirstElement(array([1,0,2],Int))
+print linalg.GetFirstElement(array([1,0,2],Float))
+print linalg.GetFirstElement(array([1,0,2],Float64))
+print linalg.GetFirstElement(array([1,0,2],Complex)) # will be zero

Code/Demos/boost/overloads/overloads.cpp

@@ -0,0 +1,48 @@
+//
+//  Copyright (C) 2003 Rational Discovery LLC
+//
+
+#include <boost/python.hpp>
+namespace python = boost::python;
+
+
+// ------
+//
+// This one is relatively easy:
+//   expose a function with a default argument
+//
+// ------
+int func2(int v1,int plus=3);
+int func2(int v1,int plus) {return v1+plus;};
+BOOST_PYTHON_FUNCTION_OVERLOADS(f2_overloads, func2, 1, 2)
+
+
+// ------
+//
+// More complex:
+//   expose a templated function with a default argument
+//
+// ------
+template <typename T>
+T func(T v1,int plus=3);
+
+template <typename T>
+T func(T v1,int plus) {
+  return v1+plus;
+}
+
+int (*f1_int)(int,int=3)=func; // gotta love that syntax!
+BOOST_PYTHON_FUNCTION_OVERLOADS(f1_int_overloads, f1_int, 1, 2)
+float (*f1_float)(float,int=3)=func;
+BOOST_PYTHON_FUNCTION_OVERLOADS(f1_float_overloads, f1_float, 1, 2)
+
+
+
+BOOST_PYTHON_MODULE(overloads)
+{
+  python::def("f2",func2,f2_overloads(python::args("v1","plus")));
+
+  python::def("f1",f1_int,f1_int_overloads(python::args("v1","plus")));
+  python::def("f1",f1_float,f1_float_overloads(python::args("v1","plus")));
+
+}

Code/Demos/boost/overloads/setup.py

@@ -0,0 +1,42 @@
+# Run this with:
+#  python setup.py install --install-lib=.
+from distutils.core import setup,Extension
+import RDConfig
+
+# force the use of g++ please
+from distutils import sysconfig
+save_init_posix = sysconfig._init_posix
+def my_init_posix():
+    print 'my_init_posix: changing gcc to g++'
+    save_init_posix()
+    g = sysconfig.get_config_vars()
+    g['CC'] = 'g++'
+    g['LDSHARED'] = 'g++ -shared'
+    g['PY_CFLAGS']= g['PY_CFLAGS'].replace('-O3','')
+sysconfig._init_posix = my_init_posix
+
+
+destDir = RDConfig.RDCodeDir
+extDir=RDConfig.RDBaseDir+"/External"
+# this is how things are done with BPLv2
+boostInc = '-isystem%s'%(extDir+"/boost_1_29_0")
+incDirs = []
+# FIX: there's gotta be a better way of doing this
+pyLibDir = '/usr/lib/python2.2/config'
+boostLibDir=extDir+"/boost_1_29_0/libs/python/build/bin/libboost_python.so/gcc/debug/runtime-link-dynamic/shared-linkable-true/"
+boostLib="boost_python"
+libDirs=[boostLibDir,pyLibDir]
+libraries=[boostLib,"python2.2"]  # have to include g++ here or we get link errors with boost
+
+compileArgs=['-ftemplate-depth-150',
+	     '-DBOOST_PYTHON_DYNAMIC_LIB',
+	     boostInc,
+	     ]
+setup(name="overloads",version="1.0",
+  ext_modules=[Extension("overloads",["overloads.cpp"],
+                         include_dirs=incDirs,
+                         library_dirs=libDirs,
+                         libraries=libraries,
+                         extra_compile_args=compileArgs)])
+
+

Code/Demos/boost/overloads/test.py

@@ -0,0 +1,12 @@
+import overloads
+
+assert overloads.f1(1)==4
+assert overloads.f1(1,4)==5
+assert overloads.f1(1.)==4.
+assert overloads.f1(1.,5)==6.
+
+assert overloads.f2(1)==4
+assert overloads.f2(1,12)==13
+
+
+

Code/Demos/boost/python_objs/python_objs.cpp

@@ -0,0 +1,34 @@
+//
+//  Copyright (C) 2003 Rational Discovery LLC
+//
+
+#include <boost/python.hpp>
+#include <boost/python/detail/api_placeholder.hpp>
+namespace python = boost::python;
+
+
+
+// ----------
+//
+//  In both cases here, the restriction on the object passed in is
+//  solely that it support the functions used.
+//
+// ----------
+int seq_len(python::object seq){
+  return python::len(seq);
+}
+
+int sum_first2(python::object seq){
+  int sum;
+  sum = python::extract<int>(seq[0]) + python::extract<int>(seq[1]);
+  
+  return sum;
+}
+
+
+
+BOOST_PYTHON_MODULE(python_objs)
+{
+  python::def("seq_len",seq_len);
+  python::def("sum_first2",sum_first2);
+}

Code/Demos/boost/python_objs/setup.py

@@ -0,0 +1,42 @@
+# Run this with:
+#  python setup.py install --install-lib=.
+from distutils.core import setup,Extension
+import RDConfig
+
+# force the use of g++ please
+from distutils import sysconfig
+save_init_posix = sysconfig._init_posix
+def my_init_posix():
+    print 'my_init_posix: changing gcc to g++'
+    save_init_posix()
+    g = sysconfig.get_config_vars()
+    g['CC'] = 'g++'
+    g['LDSHARED'] = 'g++ -shared'
+    g['PY_CFLAGS']= g['PY_CFLAGS'].replace('-O3','')
+sysconfig._init_posix = my_init_posix
+
+
+destDir = RDConfig.RDCodeDir
+extDir=RDConfig.RDBaseDir+"/External"
+# this is how things are done with BPLv2
+boostInc = '-isystem%s'%(extDir+"/boost_1_29_0")
+incDirs = []
+# FIX: there's gotta be a better way of doing this
+pyLibDir = '/usr/lib/python2.2/config'
+boostLibDir=extDir+"/boost_1_29_0/libs/python/build/bin/libboost_python.so/gcc/debug/runtime-link-dynamic/shared-linkable-true/"
+boostLib="boost_python"
+libDirs=[boostLibDir,pyLibDir]
+libraries=[boostLib,"python2.2"]  # have to include g++ here or we get link errors with boost
+
+compileArgs=['-ftemplate-depth-150',
+	     '-DBOOST_PYTHON_DYNAMIC_LIB',
+	     boostInc,
+	     ]
+setup(name="python_objs",version="1.0",
+  ext_modules=[Extension("python_objs",["python_objs.cpp"],
+                         include_dirs=incDirs,
+                         library_dirs=libDirs,
+                         libraries=libraries,
+                         extra_compile_args=compileArgs)])
+
+

Code/Demos/boost/python_objs/test.py

@@ -0,0 +1,47 @@
+import python_objs
+
+def lentest():
+  assert python_objs.seq_len([1,2])==2
+  assert python_objs.seq_len((1,2))==2
+  assert python_objs.seq_len("fooo")==4
+  try:
+    python_objs.seq_len(1)
+  except TypeError:
+    pass
+  except:
+    assert 0,'wrong exception type'
+  else:
+    assert 0,'no exception'
+
+
+def sumtest():
+  assert python_objs.sum_first2([1,2])==3
+  assert python_objs.sum_first2((1,3))==4
+  try:
+    python_objs.sum_first2((1.,3.))
+  except TypeError:
+    pass
+  except:
+    assert 0,'wrong exception type'
+  else:
+    assert 0,'no exception'
+  try:
+    python_objs.sum_first2('foo')
+  except TypeError:
+    pass
+  except:
+    assert 0,'wrong exception type'
+  else:
+    assert 0,'no exception'
+  try:
+    python_objs.sum_first2(1)
+  except TypeError:
+    pass
+  except:
+    assert 0,'wrong exception type'
+  else:
+    assert 0,'no exception'
+
+
+lentest()
+sumtest()

Code/Demos/boost/smartPtrsAndIters/module.cpp

@@ -0,0 +1,103 @@
+// Copyright Rational Discovery LLC 2005.
+// Distributed under the Boost Software License, Version 1.0. (See
+// accompanying file LICENSE_1_0.txt or copy at
+// http://www.boost.org/LICENSE_1_0.txt)
+
+
+#include <boost/python.hpp>
+#include <boost/python/suite/indexing/vector_indexing_suite.hpp>
+#include <boost/python/detail/api_placeholder.hpp>
+#include <boost/shared_ptr.hpp>
+
+#include <vector>
+
+namespace python = boost::python;
+
+class DemoKlass {
+public:
+  explicit DemoKlass(int v) : val_(v) {};
+  int getVal() const { return val_; };
+private:
+  int val_;
+};
+typedef boost::shared_ptr<DemoKlass> DemoKlassSPtr;
+typedef std::vector<DemoKlass*> DemoKlassPtrVect;
+typedef std::vector<DemoKlassSPtr> DemoKlassSPtrVect;
+
+DemoKlass *buildPtr(int v) {
+  return new DemoKlass(v);
+}
+DemoKlassSPtr buildSPtr(int v) {
+  return DemoKlassSPtr(new DemoKlass(v));
+}
+
+DemoKlassPtrVect buildPtrVector(unsigned int sz){
+  DemoKlassPtrVect res;
+  for(unsigned int i=0;i<sz;i++){
+    res.push_back(new DemoKlass(i));
+  }
+  return res;
+}
+
+DemoKlassSPtrVect buildSPtrVector(unsigned int sz){
+  DemoKlassSPtrVect res;
+  for(unsigned int i=0;i<sz;i++){
+    res.push_back(DemoKlassSPtr(new DemoKlass(i)));
+  }
+  return res;
+}
+
+
+class DemoContainer {
+public:
+  typedef DemoKlassSPtrVect::iterator iterator;
+  typedef DemoKlassSPtrVect::const_iterator const_iterator;
+  explicit DemoContainer(unsigned int sz) {
+    vect_ = buildSPtrVector(sz);
+  }
+  iterator begin() {
+    return vect_.begin();
+  }
+  iterator end() {
+    return vect_.end();
+  }
+  const_iterator begin() const {
+    return vect_.begin();
+  }
+  const_iterator end() const {
+    return vect_.end();
+  }
+
+private:
+  DemoKlassSPtrVect vect_;
+};
+
+
+
+BOOST_PYTHON_MODULE(SPtrTestModule)
+{
+  python::class_<DemoKlass,DemoKlassSPtr >("DemoKlass","demo class",python::init<int>())
+    .def("GetVal",&DemoKlass::getVal)
+    ;
+
+  python::def("buildPtr",buildPtr,python::return_value_policy<python::manage_new_object>());
+  python::def("buildSPtr",buildSPtr);
+
+
+  python::class_<DemoKlassPtrVect>("DemoKlassPtrVec")
+    .def(python::vector_indexing_suite<DemoKlassPtrVect>())
+    ;
+  python::def("buildPtrVector",buildPtrVector);
+
+  python::class_<DemoKlassSPtrVect>("DemoKlassSPtrVec")
+    .def(python::vector_indexing_suite<DemoKlassSPtrVect,true>())
+    ;
+  python::def("buildSPtrVector",buildSPtrVector);
+
+
+  python::class_<DemoContainer>("DemoContainer","demo container",python::init<unsigned int>())
+    .def("__iter__",python::iterator<DemoContainer>())
+    ;
+
+
+}

Code/Demos/boost/smartPtrsAndIters/setup.py

@@ -0,0 +1,13 @@
+# Run this with:
+#  python setup.py install --install-lib=.
+from RDBuild import *
+from distutils.core import setup,Extension
+
+setup(name="SPtrTestModule",version="1.0",
+  ext_modules=[Extension("SPtrTestModule",["module.cpp"],
+                         library_dirs=libDirs,
+                         libraries=libraries,
+                         extra_link_args=linkArgs,
+                         extra_compile_args=compileArgs)])
+
+

Code/Demos/boost/smartPtrsAndIters/test.py

@@ -0,0 +1,51 @@
+# Copyright Rational Discovery LLC 2005
+# Distributed under the Boost Software License, Version 1.0. (See
+# accompanying file LICENSE_1_0.txt or copy at
+# http://www.boost.org/LICENSE_1_0.txt)
+import SPtrTestModule as TestModule
+import unittest
+
+
+class TestCase(unittest.TestCase):
+  def setUp(self):
+    pass
+  def test1(self):
+    obj = TestModule.DemoKlass(3);
+    self.failUnless(obj.GetVal()==3)
+  def test2(self):
+    obj = TestModule.buildPtr(3);
+    self.failUnless(obj.GetVal()==3)
+  def test3(self):
+    obj = TestModule.buildSPtr(3);
+    self.failUnless(obj.GetVal()==3)
+  def test4(self):
+    sz = 5
+    vect = TestModule.buildPtrVector(sz)
+    self.failUnless(len(vect)==sz)
+    for i in range(sz):
+      self.failUnless(vect[i].GetVal()==i)
+  def test5(self):
+    sz = 5
+    vect = TestModule.buildSPtrVector(sz)
+    self.failUnless(len(vect)==sz)
+    for i in range(sz):
+      self.failUnless(vect[i].GetVal()==i)
+  def test5b(self):
+    sz = 5
+    vect = TestModule.buildSPtrVector(sz)
+    self.failUnless(len(vect)==sz)
+    p = 0
+    for itm in vect:
+      self.failUnless(itm.GetVal()==p)
+      p+=1
+  def test6(self):
+    sz = 5
+    cont = TestModule.DemoContainer(sz)
+    p = 0
+    for itm in cont:
+      self.failUnless(itm.GetVal()==p)
+      p+=1
+    self.failUnless(p==sz)
+if __name__ == '__main__':
+  unittest.main()
+