Ticket #42627: patch-scripts-python-openbabel-python.cpp.diff

File patch-scripts-python-openbabel-python.cpp.diff, 16.2 KB (added by Mathias.Laurin+macports.org@…, 11 years ago)

  • scripts/python/openbabel-python.

    old new  
    2553125531  result = (int)((OpenBabel::OBReaction const *)arg1)->NumProducts(); resultobj = SWIG_From_int(static_cast< int >(result));
    2553225532  return resultobj; fail: return NULL; }
    2553325533SWIGINTERN PyObject *_wrap_OBReaction_AddReactant(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0;
    25534   OpenBabel::OBReaction *arg1 = (OpenBabel::OBReaction *) 0 ; SwigValueWrapper< shared_ptr< OpenBabel::OBMol > > arg2 ;
     25534  OpenBabel::OBReaction *arg1 = (OpenBabel::OBReaction *) 0 ; SwigValueWrapper< std::shared_ptr< OpenBabel::OBMol > > arg2 ;
    2553525535  void *argp1 = 0 ; int res1 = 0 ; void *argp2 ; int res2 = 0 ; PyObject *swig_obj[2] ;
    2553625536  if (!SWIG_Python_UnpackTuple(args,"OBReaction_AddReactant",2,2,swig_obj)) SWIG_fail;
    2553725537  res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBReaction, 0 |  0 ); if (!SWIG_IsOK(res1)) {
    2553825538    SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBReaction_AddReactant" "', argument " "1"" of type '" "OpenBabel::OBReaction *""'");  }
    2553925539   arg1 = reinterpret_cast< OpenBabel::OBReaction * >(argp1); {
    2554025540    res2 = SWIG_ConvertPtr(swig_obj[1], &argp2, SWIGTYPE_p_shared_ptrT_OpenBabel__OBMol_t,  0  | 0); if (!SWIG_IsOK(res2)) {
    25541       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBReaction_AddReactant" "', argument " "2"" of type '" "shared_ptr< OpenBabel::OBMol > const""'");  }
     25541      SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBReaction_AddReactant" "', argument " "2"" of type '" "std::shared_ptr< OpenBabel::OBMol > const""'");  }
    2554225542       if (!argp2) {
    25543       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBReaction_AddReactant" "', argument " "2"" of type '" "shared_ptr< OpenBabel::OBMol > const""'"); }
    25544      else { shared_ptr< OpenBabel::OBMol > * temp = reinterpret_cast< shared_ptr< OpenBabel::OBMol > * >(argp2); arg2 = *temp;
     25543      SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBReaction_AddReactant" "', argument " "2"" of type '" "std::shared_ptr< OpenBabel::OBMol > const""'"); }
     25544     else { std::shared_ptr< OpenBabel::OBMol > * temp = reinterpret_cast< std::shared_ptr< OpenBabel::OBMol > * >(argp2); arg2 = *temp;
    2554525545      if (SWIG_IsNewObj(res2)) delete temp; }  }  (arg1)->AddReactant(arg2); resultobj = SWIG_Py_Void(); return resultobj; fail:
    2554625546  return NULL; }
    2554725547SWIGINTERN PyObject *_wrap_OBReaction_AddProduct(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0;
    25548   OpenBabel::OBReaction *arg1 = (OpenBabel::OBReaction *) 0 ; SwigValueWrapper< shared_ptr< OpenBabel::OBMol > > arg2 ;
     25548  OpenBabel::OBReaction *arg1 = (OpenBabel::OBReaction *) 0 ; SwigValueWrapper< std::shared_ptr< OpenBabel::OBMol > > arg2 ;
    2554925549  void *argp1 = 0 ; int res1 = 0 ; void *argp2 ; int res2 = 0 ; PyObject *swig_obj[2] ;
    2555025550  if (!SWIG_Python_UnpackTuple(args,"OBReaction_AddProduct",2,2,swig_obj)) SWIG_fail;
    2555125551  res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBReaction, 0 |  0 ); if (!SWIG_IsOK(res1)) {
    2555225552    SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBReaction_AddProduct" "', argument " "1"" of type '" "OpenBabel::OBReaction *""'");  }
    2555325553   arg1 = reinterpret_cast< OpenBabel::OBReaction * >(argp1); {
    2555425554    res2 = SWIG_ConvertPtr(swig_obj[1], &argp2, SWIGTYPE_p_shared_ptrT_OpenBabel__OBMol_t,  0  | 0); if (!SWIG_IsOK(res2)) {
    25555       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBReaction_AddProduct" "', argument " "2"" of type '" "shared_ptr< OpenBabel::OBMol > const""'");  }
     25555      SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBReaction_AddProduct" "', argument " "2"" of type '" "std::shared_ptr< OpenBabel::OBMol > const""'");  }
    2555625556       if (!argp2) {
    25557       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBReaction_AddProduct" "', argument " "2"" of type '" "shared_ptr< OpenBabel::OBMol > const""'"); }
    25558      else { shared_ptr< OpenBabel::OBMol > * temp = reinterpret_cast< shared_ptr< OpenBabel::OBMol > * >(argp2); arg2 = *temp;
     25557      SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBReaction_AddProduct" "', argument " "2"" of type '" "std::shared_ptr< OpenBabel::OBMol > const""'"); }
     25558     else { std::shared_ptr< OpenBabel::OBMol > * temp = reinterpret_cast< std::shared_ptr< OpenBabel::OBMol > * >(argp2); arg2 = *temp;
    2555925559      if (SWIG_IsNewObj(res2)) delete temp; }  }  (arg1)->AddProduct(arg2); resultobj = SWIG_Py_Void(); return resultobj; fail:
    2556025560  return NULL; }
    2556125561SWIGINTERN PyObject *_wrap_OBReaction_SetTransitionState(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
    2556225562  PyObject *resultobj = 0; OpenBabel::OBReaction *arg1 = (OpenBabel::OBReaction *) 0 ;
    25563   SwigValueWrapper< shared_ptr< OpenBabel::OBMol > > arg2 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 ; int res2 = 0 ;
     25563  SwigValueWrapper< std::shared_ptr< OpenBabel::OBMol > > arg2 ; void *argp1 = 0 ; int res1 = 0 ; void *argp2 ; int res2 = 0 ;
    2556425564  PyObject *swig_obj[2] ; if (!SWIG_Python_UnpackTuple(args,"OBReaction_SetTransitionState",2,2,swig_obj)) SWIG_fail;
    2556525565  res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBReaction, 0 |  0 ); if (!SWIG_IsOK(res1)) {
    2556625566    SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBReaction_SetTransitionState" "', argument " "1"" of type '" "OpenBabel::OBReaction *""'");  }
    2556725567   arg1 = reinterpret_cast< OpenBabel::OBReaction * >(argp1); {
    2556825568    res2 = SWIG_ConvertPtr(swig_obj[1], &argp2, SWIGTYPE_p_shared_ptrT_OpenBabel__OBMol_t,  0  | 0); if (!SWIG_IsOK(res2)) {
    25569       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBReaction_SetTransitionState" "', argument " "2"" of type '" "shared_ptr< OpenBabel::OBMol > const""'");  }
     25569      SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBReaction_SetTransitionState" "', argument " "2"" of type '" "std::shared_ptr< OpenBabel::OBMol > const""'");  }
    2557025570       if (!argp2) {
    25571       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBReaction_SetTransitionState" "', argument " "2"" of type '" "shared_ptr< OpenBabel::OBMol > const""'"); }
    25572      else { shared_ptr< OpenBabel::OBMol > * temp = reinterpret_cast< shared_ptr< OpenBabel::OBMol > * >(argp2); arg2 = *temp;
     25571      SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBReaction_SetTransitionState" "', argument " "2"" of type '" "std::shared_ptr< OpenBabel::OBMol > const""'"); }
     25572     else { std::shared_ptr< OpenBabel::OBMol > * temp = reinterpret_cast< std::shared_ptr< OpenBabel::OBMol > * >(argp2); arg2 = *temp;
    2557325573      if (SWIG_IsNewObj(res2)) delete temp; }  }  (arg1)->SetTransitionState(arg2); resultobj = SWIG_Py_Void();
    2557425574  return resultobj; fail: return NULL; }
    2557525575SWIGINTERN PyObject *_wrap_OBReaction_AddAgent(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0;
    25576   OpenBabel::OBReaction *arg1 = (OpenBabel::OBReaction *) 0 ; SwigValueWrapper< shared_ptr< OpenBabel::OBMol > > arg2 ;
     25576  OpenBabel::OBReaction *arg1 = (OpenBabel::OBReaction *) 0 ; SwigValueWrapper< std::shared_ptr< OpenBabel::OBMol > > arg2 ;
    2557725577  void *argp1 = 0 ; int res1 = 0 ; void *argp2 ; int res2 = 0 ; PyObject *swig_obj[2] ;
    2557825578  if (!SWIG_Python_UnpackTuple(args,"OBReaction_AddAgent",2,2,swig_obj)) SWIG_fail;
    2557925579  res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBReaction, 0 |  0 ); if (!SWIG_IsOK(res1)) {
    2558025580    SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBReaction_AddAgent" "', argument " "1"" of type '" "OpenBabel::OBReaction *""'");  }
    2558125581   arg1 = reinterpret_cast< OpenBabel::OBReaction * >(argp1); {
    2558225582    res2 = SWIG_ConvertPtr(swig_obj[1], &argp2, SWIGTYPE_p_shared_ptrT_OpenBabel__OBMol_t,  0  | 0); if (!SWIG_IsOK(res2)) {
    25583       SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBReaction_AddAgent" "', argument " "2"" of type '" "shared_ptr< OpenBabel::OBMol > const""'");  }
     25583      SWIG_exception_fail(SWIG_ArgError(res2), "in method '" "OBReaction_AddAgent" "', argument " "2"" of type '" "std::shared_ptr< OpenBabel::OBMol > const""'");  }
    2558425584       if (!argp2) {
    25585       SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBReaction_AddAgent" "', argument " "2"" of type '" "shared_ptr< OpenBabel::OBMol > const""'"); }
    25586      else { shared_ptr< OpenBabel::OBMol > * temp = reinterpret_cast< shared_ptr< OpenBabel::OBMol > * >(argp2); arg2 = *temp;
     25585      SWIG_exception_fail(SWIG_ValueError, "invalid null reference " "in method '" "OBReaction_AddAgent" "', argument " "2"" of type '" "std::shared_ptr< OpenBabel::OBMol > const""'"); }
     25586     else { std::shared_ptr< OpenBabel::OBMol > * temp = reinterpret_cast< std::shared_ptr< OpenBabel::OBMol > * >(argp2); arg2 = *temp;
    2558725587      if (SWIG_IsNewObj(res2)) delete temp; }  }  (arg1)->AddAgent(arg2); resultobj = SWIG_Py_Void(); return resultobj; fail:
    2558825588  return NULL; }
    2558925589SWIGINTERN PyObject *_wrap_OBReaction_GetReactant(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0;
    2559025590  OpenBabel::OBReaction *arg1 = (OpenBabel::OBReaction *) 0 ; unsigned int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
    25591   unsigned int val2 ; int ecode2 = 0 ; PyObject *swig_obj[2] ; SwigValueWrapper< shared_ptr< OpenBabel::OBMol > > result;
     25591  unsigned int val2 ; int ecode2 = 0 ; PyObject *swig_obj[2] ; SwigValueWrapper< std::shared_ptr< OpenBabel::OBMol > > result;
    2559225592  if (!SWIG_Python_UnpackTuple(args,"OBReaction_GetReactant",2,2,swig_obj)) SWIG_fail;
    2559325593  res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBReaction, 0 |  0 ); if (!SWIG_IsOK(res1)) {
    2559425594    SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBReaction_GetReactant" "', argument " "1"" of type '" "OpenBabel::OBReaction *""'");  }
    … …  
    2559625596  if (!SWIG_IsOK(ecode2)) {
    2559725597    SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBReaction_GetReactant" "', argument " "2"" of type '" "unsigned int""'"); }
    2559825598    arg2 = static_cast< unsigned int >(val2); result = (arg1)->GetReactant(arg2);
    25599   resultobj = SWIG_NewPointerObj((new shared_ptr< OpenBabel::OBMol >(static_cast< const shared_ptr< OpenBabel::OBMol >& >(result))), SWIGTYPE_p_shared_ptrT_OpenBabel__OBMol_t, SWIG_POINTER_OWN |  0 );
     25599  resultobj = SWIG_NewPointerObj((new std::shared_ptr< OpenBabel::OBMol >(static_cast< const std::shared_ptr< OpenBabel::OBMol >& >(result))), SWIGTYPE_p_shared_ptrT_OpenBabel__OBMol_t, SWIG_POINTER_OWN |  0 );
    2560025600  return resultobj; fail: return NULL; }
    2560125601SWIGINTERN PyObject *_wrap_OBReaction_GetProduct(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0;
    2560225602  OpenBabel::OBReaction *arg1 = (OpenBabel::OBReaction *) 0 ; unsigned int arg2 ; void *argp1 = 0 ; int res1 = 0 ;
    25603   unsigned int val2 ; int ecode2 = 0 ; PyObject *swig_obj[2] ; SwigValueWrapper< shared_ptr< OpenBabel::OBMol > > result;
     25603  unsigned int val2 ; int ecode2 = 0 ; PyObject *swig_obj[2] ; SwigValueWrapper< std::shared_ptr< OpenBabel::OBMol > > result;
    2560425604  if (!SWIG_Python_UnpackTuple(args,"OBReaction_GetProduct",2,2,swig_obj)) SWIG_fail;
    2560525605  res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBReaction, 0 |  0 ); if (!SWIG_IsOK(res1)) {
    2560625606    SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBReaction_GetProduct" "', argument " "1"" of type '" "OpenBabel::OBReaction *""'");  }
    … …  
    2560825608  if (!SWIG_IsOK(ecode2)) {
    2560925609    SWIG_exception_fail(SWIG_ArgError(ecode2), "in method '" "OBReaction_GetProduct" "', argument " "2"" of type '" "unsigned int""'"); }
    2561025610    arg2 = static_cast< unsigned int >(val2); result = (arg1)->GetProduct(arg2);
    25611   resultobj = SWIG_NewPointerObj((new shared_ptr< OpenBabel::OBMol >(static_cast< const shared_ptr< OpenBabel::OBMol >& >(result))), SWIGTYPE_p_shared_ptrT_OpenBabel__OBMol_t, SWIG_POINTER_OWN |  0 );
     25611  resultobj = SWIG_NewPointerObj((new std::shared_ptr< OpenBabel::OBMol >(static_cast< const std::shared_ptr< OpenBabel::OBMol >& >(result))), SWIGTYPE_p_shared_ptrT_OpenBabel__OBMol_t, SWIG_POINTER_OWN |  0 );
    2561225612  return resultobj; fail: return NULL; }
    2561325613SWIGINTERN PyObject *_wrap_OBReaction_GetTransitionState(PyObject *SWIGUNUSEDPARM(self), PyObject *args) {
    2561425614  PyObject *resultobj = 0; OpenBabel::OBReaction *arg1 = (OpenBabel::OBReaction *) 0 ; void *argp1 = 0 ; int res1 = 0 ;
    25615   PyObject *swig_obj[1] ; SwigValueWrapper< shared_ptr< OpenBabel::OBMol > > result; if (!args) SWIG_fail; swig_obj[0] = args;
     25615  PyObject *swig_obj[1] ; SwigValueWrapper< std::shared_ptr< OpenBabel::OBMol > > result; if (!args) SWIG_fail; swig_obj[0] = args;
    2561625616  res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBReaction, 0 |  0 ); if (!SWIG_IsOK(res1)) {
    2561725617    SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBReaction_GetTransitionState" "', argument " "1"" of type '" "OpenBabel::OBReaction const *""'");  }
    2561825618   arg1 = reinterpret_cast< OpenBabel::OBReaction * >(argp1);
    2561925619  result = ((OpenBabel::OBReaction const *)arg1)->GetTransitionState();
    25620   resultobj = SWIG_NewPointerObj((new shared_ptr< OpenBabel::OBMol >(static_cast< const shared_ptr< OpenBabel::OBMol >& >(result))), SWIGTYPE_p_shared_ptrT_OpenBabel__OBMol_t, SWIG_POINTER_OWN |  0 );
     25620  resultobj = SWIG_NewPointerObj((new std::shared_ptr< OpenBabel::OBMol >(static_cast< const std::shared_ptr< OpenBabel::OBMol >& >(result))), SWIGTYPE_p_shared_ptrT_OpenBabel__OBMol_t, SWIG_POINTER_OWN |  0 );
    2562125621  return resultobj; fail: return NULL; }
    2562225622SWIGINTERN PyObject *_wrap_OBReaction_GetAgent(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0;
    2562325623  OpenBabel::OBReaction *arg1 = (OpenBabel::OBReaction *) 0 ; void *argp1 = 0 ; int res1 = 0 ; PyObject *swig_obj[1] ;
    25624   SwigValueWrapper< shared_ptr< OpenBabel::OBMol > > result; if (!args) SWIG_fail; swig_obj[0] = args;
     25624  SwigValueWrapper< std::shared_ptr< OpenBabel::OBMol > > result; if (!args) SWIG_fail; swig_obj[0] = args;
    2562525625  res1 = SWIG_ConvertPtr(swig_obj[0], &argp1,SWIGTYPE_p_OpenBabel__OBReaction, 0 |  0 ); if (!SWIG_IsOK(res1)) {
    2562625626    SWIG_exception_fail(SWIG_ArgError(res1), "in method '" "OBReaction_GetAgent" "', argument " "1"" of type '" "OpenBabel::OBReaction const *""'");  }
    2562725627   arg1 = reinterpret_cast< OpenBabel::OBReaction * >(argp1); result = ((OpenBabel::OBReaction const *)arg1)->GetAgent();
    25628   resultobj = SWIG_NewPointerObj((new shared_ptr< OpenBabel::OBMol >(static_cast< const shared_ptr< OpenBabel::OBMol >& >(result))), SWIGTYPE_p_shared_ptrT_OpenBabel__OBMol_t, SWIG_POINTER_OWN |  0 );
     25628  resultobj = SWIG_NewPointerObj((new std::shared_ptr< OpenBabel::OBMol >(static_cast< const std::shared_ptr< OpenBabel::OBMol >& >(result))), SWIGTYPE_p_shared_ptrT_OpenBabel__OBMol_t, SWIG_POINTER_OWN |  0 );
    2562925629  return resultobj; fail: return NULL; }
    2563025630SWIGINTERN PyObject *_wrap_OBReaction_GetTitle(PyObject *SWIGUNUSEDPARM(self), PyObject *args) { PyObject *resultobj = 0;
    2563125631  OpenBabel::OBReaction *arg1 = (OpenBabel::OBReaction *) 0 ; void *argp1 = 0 ; int res1 = 0 ; PyObject *swig_obj[1] ;
    … …  
    5617356173static swig_type_info _swigt__p_p_int = {"_p_p_int", "int **", 0, 0, (void*)0, 0};
    5617456174static swig_type_info _swigt__p_reference = {"_p_reference", "reference *", 0, 0, (void*)0, 0};
    5617556175static swig_type_info _swigt__p_second_type = {"_p_second_type", "second_type *", 0, 0, (void*)0, 0};
    56176 static swig_type_info _swigt__p_shared_ptrT_OpenBabel__OBMol_t = {"_p_shared_ptrT_OpenBabel__OBMol_t", "shared_ptr< OpenBabel::OBMol > *", 0, 0, (void*)0, 0};
     56176static swig_type_info _swigt__p_shared_ptrT_OpenBabel__OBMol_t = {"_p_shared_ptrT_OpenBabel__OBMol_t", "std::shared_ptr< OpenBabel::OBMol > *", 0, 0, (void*)0, 0};
    5617756177static swig_type_info _swigt__p_size_type = {"_p_size_type", "size_type *", 0, 0, (void*)0, 0};
    5617856178static swig_type_info _swigt__p_std__allocatorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_t = {"_p_std__allocatorT_std__vectorT_std__pairT_unsigned_int_unsigned_int_t_std__allocatorT_std__pairT_unsigned_int_unsigned_int_t_t_t_t", "std::allocator< std::vector< std::pair< unsigned int,unsigned int >,std::allocator< std::pair< unsigned int,unsigned int > > > > *|std::vector< std::vector< std::pair< unsigned int,unsigned int > > >::allocator_type *", 0, 0, (void*)0, 0};
    5617956179static swig_type_info _swigt__p_std__binary_functionT_char_const_p_char_const_p_bool_t = {"_p_std__binary_functionT_char_const_p_char_const_p_bool_t", "std::binary_function< char const *,char const *,bool > *", 0, 0, (void*)0, 0};