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36 %Module gromacs.TrajectoryAnalysis
38 %DefaultEncoding "UTF-8"
40 %Import options/Options.sip
41 %Import topology/Topology.sip
43 %Include definitions.sip
45 %Include analysissettings.sip
46 %Include analysisdata.sip
47 %Include analysismodule.sip
52 #include "gromacs/trajectoryanalysis/analysismodule.h"
53 #include "gromacs/trajectoryanalysis/cmdlinerunner.h"
54 #include "gromacs/utility/exceptions.h"
56 class PyFactory : public gmx::TrajectoryAnalysisCommandLineRunner::ModuleFactoryFunctor {
58 PyFactory(PyObject *mod) : mod(mod) {} ;
59 gmx::TrajectoryAnalysisModulePointer operator () () {
61 int can = sipCanConvertToType(mod, sipType_TrajectoryAnalysisModule, 0);
62 // TODO: throw if can't
63 gmx::TrajectoryAnalysisModule *module = (gmx::TrajectoryAnalysisModule*) sipConvertToType(
64 mod, sipType_TrajectoryAnalysisModule, NULL, 0, NULL, &iserr);
65 return TrajectoryAnalysisModulePointer(module);
71 void runAsMain(PyObject *mod, PyObject *py_argv) {
72 int argc = PyList_GET_SIZE(py_argv);
74 char **argv = new char *[argc + 1];
76 std::fill(to_free, to_free+argc, false);
79 // TODO: Use something better than AsLatin1String to avoid unicode errors
80 for (int a = 0; a < argc; ++a)
82 PyObject *arg_obj = PyList_GET_ITEM(py_argv, a);
83 const char *arg = sipString_AsLatin1String(&arg_obj);
96 argv[a] = const_cast<char *>(arg);
101 PyFactory factory(mod);
102 TrajectoryAnalysisCommandLineRunner::runAsMain(argc, argv, &factory);
104 for (int i = 0; i < argc; i++)
112 void runAsMain(SIP_PYOBJECT mod, SIP_PYLIST argv);