| /dports/science/openbabel/openbabel-3.1.1/src/formats/ |
| H A D | png2format.cpp | 151 pConv->SetOutputIndex(pConv->GetOutputIndex()+1); in WriteChemObject()
173 pConv->SetLast(true); in WriteMolecule()
227 if(!pConv->IsOption("d")) in WriteMolecule()
241 if((pConv->GetOutputIndex()==1) && pConv->IsLast() && pConv->IsOption("m")) { in WriteMolecule()
249 if(!pConv->IsOption("C")) in WriteMolecule()
251 if(pConv->IsOption("a")) in WriteMolecule()
254 if(pConv->IsOption("A")) in WriteMolecule()
263 if(pConv->IsOption("t")) in WriteMolecule()
269 if(pConv->IsOption("u")) in WriteMolecule()
273 if(pConv->IsOption("s")) in WriteMolecule()
[all …]
|
| H A D | svgformat.cpp | 294 pConv->AddOption("j"); in WriteSVG()
317 if(!pConv->IsOption("x")) in WriteSVG()
347 if(pConv->IsOption("u")) in WriteSVG()
349 if(!pConv->IsOption("U")) in WriteSVG()
351 if(!pConv->IsOption("C")) in WriteSVG()
353 if(pConv->IsOption("a")) in WriteSVG()
355 if(pConv->IsOption("W")) in WriteSVG()
357 if(pConv->IsOption("s")) in WriteSVG()
359 if(pConv->IsOption("X")) in WriteSVG()
363 if(pConv->IsOption("S")) { in WriteSVG()
[all …]
|
| H A D | pngformat.cpp | 150 return WriteMolecule(pOb, pConv); in WriteChemObject()
163 if(pConv->IsLast()) in WriteChemObject()
215 istream& ifs = *pConv->GetInStream(); in ReadMolecule()
216 if(pConv->IsFirstInput()) in ReadMolecule()
296 conv2.CopyOptions(pConv); in ReadMolecule()
312 if(pConv->GetOutFormat()==this) in ReadMolecule()
318 if(pConv->IsLastFile() && _count>0) in ReadMolecule()
331 ostream& ofs = *pConv->GetOutStream(); in WriteMolecule()
368 const char* pid = pConv->IsOption("y"); in WriteMolecule()
390 if(pConv->IsLast()) in WriteMolecule()
[all …]
|
| H A D | fastsearchformat.cpp | 196 pConv->SetInStream(&datastream); in ReadChemObject()
200 …if(!pConv->SetInAndOutFormats(pConv->FormatFromExt(datafilename.c_str(), isgzip), pConv->GetOutFor… in ReadChemObject()
280 pConv->SetOneObjectOnly(); in ReadChemObject()
330 pConv->SetLast(false); in ReadChemObject()
334 if(!pConv->GetInFormat()->ReadChemObject(pConv)) in ReadChemObject()
354 if(pConv->GetInGzipped()) in WriteChemObject()
370 if(!pConv->IsLastFile()) in WriteChemObject()
444 p=pConv->IsOption("f"); in WriteChemObject()
460 nmols = pConv->NumInputObjects(); in WriteChemObject()
514 pConv->SetOutputIndex(pConv->GetOutputIndex()-1); in WriteChemObject()
[all …]
|
| H A D | exampleformat.cpp | 127 virtual int SkipObjects(int n, OBConversion* pConv) in SkipObjects() argument
134 virtual bool ReadMolecule(OBBase* pOb, OBConversion* pConv);
135 virtual bool WriteMolecule(OBBase* pOb, OBConversion* pConv);
149 bool XXXFormat::ReadMolecule(OBBase* pOb, OBConversion* pConv) in ReadMolecule() argument
155 istream& ifs = *pConv->GetInStream(); in ReadMolecule()
162 if(pConv->IsOption("s",OBConversion::INOPTIONS)) in ReadMolecule()
188 bool XXXFormat::WriteMolecule(OBBase* pOb, OBConversion* pConv) in WriteMolecule() argument
194 ostream& ofs = *pConv->GetOutStream(); in WriteMolecule()
203 const char* p = pConv->IsOption("f"); in WriteMolecule()
208 if(pConv->GetOutputIndex()==1) in WriteMolecule()
[all …]
|
| H A D | textformat.cpp | 37 virtual bool ReadChemObject(OBConversion* pConv) in ReadChemObject() argument
41 bool ret=ReadMolecule(pReact,pConv); //call the "API" read function in ReadChemObject()
51 …return pConv->AddChemObject(pReact->DoTransformations(pConv->GetOptions(OBConversion::GENOPTIONS),… in ReadChemObject()
53 pConv->AddChemObject(nullptr); in ReadChemObject()
58 virtual bool ReadMolecule(OBBase* pOb, OBConversion* pConv) in ReadMolecule() argument
64 string fileText(istreambuf_iterator<char>(*pConv->GetInStream()), istreambuf_iterator<char>()); in ReadMolecule()
69 virtual bool WriteChemObject(OBConversion* pConv) in WriteChemObject() argument
72 OBBase* pOb = pConv->GetChemObject(); in WriteChemObject()
81 ostream* ofs = pConv->GetOutStream(); in WriteChemObject()
|
| H A D | rsmiformat.cpp | 71 virtual bool ReadChemObject(OBConversion* pConv) in ReadChemObject() argument
85 …return pConv->AddChemObject(pReact->DoTransformations(pConv->GetOptions(OBConversion::GENOPTIONS),… in ReadChemObject()
88 pConv->AddChemObject(nullptr); in ReadChemObject()
95 virtual bool WriteChemObject(OBConversion* pConv) in WriteChemObject() argument
98 OBBase* pOb = pConv->GetChemObject(); in WriteChemObject()
104 ret=WriteMolecule(pReact,pConv); in WriteChemObject()
139 istream &ifs = *pConv->GetInStream(); in ReadMolecule()
246 ostream &ofs = *pConv->GetOutStream(); in WriteMolecule()
259 if(!pSmiFormat->WriteMolecule(&jReactants, pConv)) in WriteMolecule()
268 if(!pSmiFormat->WriteMolecule(&jAgents, pConv)) in WriteMolecule()
[all …]
|
| H A D | maeformat.cpp | 85 void setupReader(OBConversion* pConv);
86 void checkEOF(OBConversion* pConv);
104 setupReader(pConv); in SkipObjects()
107 checkEOF(pConv); in SkipObjects()
120 m_in_filename = pConv->GetInFilename(); in setupReader()
143 } else if(pConv->GetInStream()->eof()) { in checkEOF()
147 pConv->GetInStream()->putback(1); in checkEOF()
148 pConv->GetInStream()->clear(); in checkEOF()
164 setupReader(pConv); in ReadMolecule()
211 checkEOF(pConv); in ReadMolecule()
[all …]
|
| H A D | fingerprintformat.cpp | 112 virtual bool WriteMolecule(OBBase* pOb, OBConversion* pConv);
126 bool FingerprintFormat::WriteMolecule(OBBase* pOb, OBConversion* pConv) in WriteMolecule() argument
128 ostream &ofs = *pConv->GetOutStream(); in WriteMolecule()
131 if(pConv->IsOption("h") || (pConv->GetOutputIndex()==1 && pConv->IsLast())) in WriteMolecule()
136 const char* p=pConv->IsOption("f"); in WriteMolecule()
152 p=pConv->IsOption("N"); in WriteMolecule()
163 if(pConv->IsOption("o")) in WriteMolecule()
171 if(pConv->IsOption("s") || pConv->IsOption("u")) in WriteMolecule()
179 string descr = pFP->DescribeBits(fptvec, pConv->IsOption("s") != nullptr); in WriteMolecule()
188 if(hexoutput && pConv->GetOutputIndex()<=1) in WriteMolecule()
[all …]
|
| H A D | chemkinformat.cpp | 126 …return pConv->AddChemObject(pReact->DoTransformations(pConv->GetOptions(OBConversion::GENOPTIONS),… in ReadChemObject()
194 if(pConv->IsFirstInput()) in ReadMolecule()
197 if(!ReadHeader(ifs, pConv)) in ReadMolecule()
300 ReadThermo(pConv); in ReadHeader()
700 while(pConv->Read(&thmol)) in ReadThermo()
711 pConv->SetInFormat(this); in ReadThermo()
798 if(pConv->IsLast()) in WriteMolecule()
803 if(!WriteHeader(pConv)) in WriteMolecule()
808 if(!pConv->IsOption("s")) in WriteMolecule()
857 if(!pConv->IsOption("t")) in WriteHeader()
[all …]
|
| H A D | asciiformat.cpp | 97 virtual bool WriteMolecule(OBBase* pOb, OBConversion* pConv);
108 bool ASCIIFormat::WriteMolecule(OBBase* pOb, OBConversion* pConv) in WriteMolecule() argument
114 ostream& ofs = *pConv->GetOutStream(); in WriteMolecule()
144 const char* pp = pConv->IsOption("w"); in WriteMolecule()
146 pp = pConv->IsOption("a"); in WriteMolecule()
149 pp = pConv->IsOption("h"); in WriteMolecule()
152 if (pConv->IsOption("t")) { in WriteMolecule()
153 ofs << "#" << pConv->GetOutputIndex() << " " << pmol->GetTitle() << endl; in WriteMolecule()
159 if(!pConv->IsOption("m")) in WriteMolecule()
162 if(pConv->IsOption("s")) { // Print the test card -- should be a square in WriteMolecule()
[all …]
|
| H A D | inchiformat.cpp | 296 if(pConv->GetOutputIndex()==1) in WriteMolecule()
304 …pConv->IsOption("s") == nullptr && pConv->IsOption("X") == nullptr && pConv->IsOption("F") == null… in WriteMolecule()
359 if (mol.GetDimension()==2 && pConv->IsOption("s", pConv->OUTOPTIONS) == nullptr) { in WriteMolecule()
521 if(pConv->IsOption("w")) in WriteMolecule()
570 if(pConv->IsOption("t")) in WriteMolecule()
578 if(pConv->IsOption("U")) in WriteMolecule()
585 if(pConv->IsLast()) in WriteMolecule()
593 else if(pConv->IsOption("u")) in WriteMolecule()
606 if (pConv->IsOption("a")) in WriteMolecule()
609 if(pConv->IsOption("l")) in WriteMolecule()
[all …]
|
| /dports/science/openbabel/openbabel-3.1.1/src/ |
| H A D | obmolecformat.cpp | 92 ret = pConv->AddChemObject( in ReadChemObjectImpl()
93 pMolCopy->DoTransformations(pConv->GetOptions(OBConversion::GENOPTIONS), pConv))!=0; in ReadChemObjectImpl()
117 if(pConv->IsFirstInput()) in ReadChemObjectImpl()
144 if(!pConv->IsLast()) in WriteChemObjectImpl()
147 pConv->SetOutputIndex(1); in WriteChemObjectImpl()
202 if(!pConv->GetOutFormat()->WriteMolecule(pmol, pConv)) in DoOutputOptions()
228 if(pConv->IsFirstInput()) in DeferMolOutput()
399 ret = pConv->GetOutFormat()->WriteMolecule(itr->second, pConv); in OutputDeferredMols()
440 pConv->SetOutputIndex(pConv->GetOutputIndex() - 1); // The OBReaction object is not output in OutputMolsFromReaction()
456 pConv->SetOutputIndex(pConv->GetOutputIndex()+1); in OutputMolsFromReaction()
[all …]
|
| /dports/science/openbabel/openbabel-3.1.1/src/ops/ |
| H A D | deferred.h | 40 _pRealOutFormat = pConv->GetOutFormat();
41 pConv->SetOutFormat(this);
47 virtual bool ReadChemObject(OBConversion* pConv) in ReadChemObject() argument
55 pConv->AddChemObject(_obvec.back()); in ReadChemObject()
60 virtual bool WriteChemObject(OBConversion* pConv) in WriteChemObject() argument
62 OBBase* pOb = pConv->GetChemObject(); in WriteChemObject()
63 if(!_callDo || _pOp->Do(pOb, "", pConv->GetOptions(OBConversion::GENOPTIONS), pConv)) in WriteChemObject()
66 if(pConv->IsLast()) in WriteChemObject()
83 pConv->GetInStream()->clear(); in WriteChemObject()
85 pConv->SetOutputIndex(0); in WriteChemObject()
[all …]
|
| H A D | xout.cpp | 37 virtual bool WriteChemObject(OBConversion* pConv) in WriteChemObject() argument
39 OBBase* pOb = pConv->GetChemObject(); in WriteChemObject()
53 _pOrigConv->SetOutputIndex(pConv->GetOutputIndex()-2); in WriteChemObject()
56 _pOrigConv->SetLast(pConv->IsLast()); in WriteChemObject()
63 _pExtraConv->SetOutputIndex(pConv->GetOutputIndex()-2); in WriteChemObject()
67 _pExtraConv->SetLast(pConv->IsLast()); in WriteChemObject()
70 if(pConv->IsLast()) in WriteChemObject()
144 if(!pConv || !OptionText || *OptionText=='\0') in Do()
147 if(pConv->IsFirstInput()) in Do()
160 OBConversion* pOrigConv = new OBConversion(*pConv); in Do()
[all …]
|
| H A D | opsplit.cpp | 84 bool OpSplit::Do(OBBase* pOb, const char* OptionText, OpMap* pOptions, OBConversion* pConv) in Do() argument
92 if(!pConv) in Do()
95 if(pConv->IsFirstInput()) in Do()
100 _realOutFormat = pConv->GetOutFormat(); in Do()
103 std::ofstream* oldfs = dynamic_cast<std::ofstream*>(pConv->GetOutStream()); in Do()
108 remove(pConv->GetOutFilename().c_str()); in Do()
132 new DeferredFormat(pConv, this, true); //it will delete itself in Do()
182 pConv->SetOneObjectOnly(); //stop all conversion in Do()
186 pConv->SetOutStream(&ofs); in Do()
188 _realOutFormat->WriteChemObject(pConv); in Do()
[all …]
|
| /dports/net/openmpi3/openmpi-3.1.6/opal/datatype/ |
| H A D | opal_datatype_pack.c | 67 dt_stack_t* pStack = pConv->pStack; in opal_pack_homogeneous_contig_function()
70 size_t length = pConv->local_size - pConv->bConverted, initial_amount = pConv->bConverted; in opal_pack_homogeneous_contig_function()
71 ptrdiff_t initial_displ = pConv->use_desc->desc[pConv->use_desc->used].end_loop.first_elem_disp; in opal_pack_homogeneous_contig_function()
88 pConv->pBaseBuf, pConv->pDesc, pConv->count ); in opal_pack_homogeneous_contig_function()
100 if( pConv->bConverted == pConv->local_size ) { in opal_pack_homogeneous_contig_function()
115 dt_stack_t* stack = pConv->pStack; in opal_pack_homogeneous_contig_with_gaps_function()
120 ptrdiff_t initial_displ = pConv->use_desc->desc[pConv->use_desc->used].end_loop.first_elem_disp; in opal_pack_homogeneous_contig_with_gaps_function()
135 remaining = pConv->local_size - pConv->bConverted; in opal_pack_homogeneous_contig_with_gaps_function()
191 if( pConv->bConverted == pConv->local_size ) { in opal_pack_homogeneous_contig_with_gaps_function()
253 pConv->bConverted += bConverted; in opal_pack_homogeneous_contig_with_gaps_function()
[all …]
|
| H A D | opal_convertor.h | 198 opal_convertor_compute_remote_size( opal_convertor_t* pConv );
203 static inline void opal_convertor_get_packed_size( const opal_convertor_t* pConv, in opal_convertor_get_packed_size() argument
206 *pSize = pConv->local_size; in opal_convertor_get_packed_size()
218 if( pConv->flags & CONVERTOR_HOMOGENEOUS ) { in opal_convertor_get_unpacked_size()
219 *pSize = pConv->local_size; in opal_convertor_get_unpacked_size()
222 if( 0 == (CONVERTOR_HAS_REMOTE_SIZE & pConv->flags) ) { in opal_convertor_get_unpacked_size()
223 assert(! (pConv->flags & CONVERTOR_SEND)); in opal_convertor_get_unpacked_size()
224 opal_convertor_compute_remote_size( (opal_convertor_t*)pConv); in opal_convertor_get_unpacked_size()
226 *pSize = pConv->remote_size; in opal_convertor_get_unpacked_size()
237 unsigned char* base = pConv->pBaseBuf + pConv->bConverted + pConv->pDesc->true_lb; in opal_convertor_get_current_pointer()
[all …]
|
| /dports/editors/libreoffice/libreoffice-7.2.6.2/basic/source/runtime/ |
| H A D | ddectrl.cxx | 52 if( !pConv ) in GetLastErr()
56 tools::Long nErr = pConv->GetError(); in GetLastErr()
104 nErr = GetLastErr( pConv.get() ); in Initiate()
126 if( !pConv ) in Terminate()
150 if( !pConv ) in Request()
155 DdeRequest aRequest( *pConv, rItem, 30000 ); in Request()
159 return GetLastErr( pConv ); in Request()
171 if( !pConv ) in Execute()
177 return GetLastErr( pConv ); in Execute()
188 if( !pConv ) in Poke()
[all …]
|
| /dports/editors/libreoffice6/libreoffice-6.4.7.2/basic/source/runtime/ |
| H A D | ddectrl.cxx | 52 if( !pConv ) in GetLastErr()
56 long nErr = pConv->GetError(); in GetLastErr()
104 nErr = GetLastErr( pConv.get() ); in Initiate()
126 if( !pConv ) in Terminate()
150 if( !pConv ) in Request()
155 DdeRequest aRequest( *pConv, rItem, 30000 ); in Request()
159 return GetLastErr( pConv ); in Request()
171 if( !pConv ) in Execute()
177 return GetLastErr( pConv ); in Execute()
188 if( !pConv ) in Poke()
[all …]
|
| /dports/net/openmpi/openmpi-4.1.1/opal/datatype/ |
| H A D | opal_datatype_pack.c | 65 dt_stack_t* pStack = pConv->pStack; in opal_pack_homogeneous_contig_function()
68 size_t length = pConv->local_size - pConv->bConverted, initial_amount = pConv->bConverted; in opal_pack_homogeneous_contig_function()
70 source_base = (pConv->pBaseBuf + pConv->pDesc->true_lb + pStack[0].disp + pStack[1].disp); in opal_pack_homogeneous_contig_function()
85 pConv->pBaseBuf, pConv->pDesc, pConv->count ); in opal_pack_homogeneous_contig_function()
97 if( pConv->bConverted == pConv->local_size ) { in opal_pack_homogeneous_contig_function()
98 pConv->flags |= CONVERTOR_COMPLETED; in opal_pack_homogeneous_contig_function()
112 const opal_datatype_t* pData = pConv->pDesc; in opal_pack_homogeneous_contig_with_gaps_function()
113 dt_stack_t* stack = pConv->pStack; in opal_pack_homogeneous_contig_with_gaps_function()
153 remaining = pConv->local_size - pConv->bConverted; in opal_pack_homogeneous_contig_with_gaps_function()
158 pConv->bConverted += remaining; in opal_pack_homogeneous_contig_with_gaps_function()
[all …]
|
| H A D | opal_convertor.h | 202 opal_convertor_compute_remote_size( opal_convertor_t* pConv );
207 static inline void opal_convertor_get_packed_size( const opal_convertor_t* pConv, in opal_convertor_get_packed_size() argument
210 *pSize = pConv->local_size; in opal_convertor_get_packed_size()
222 if( pConv->flags & CONVERTOR_HOMOGENEOUS ) { in opal_convertor_get_unpacked_size()
223 *pSize = pConv->local_size; in opal_convertor_get_unpacked_size()
226 if( 0 == (CONVERTOR_HAS_REMOTE_SIZE & pConv->flags) ) { in opal_convertor_get_unpacked_size()
227 assert(! (pConv->flags & CONVERTOR_SEND)); in opal_convertor_get_unpacked_size()
228 opal_convertor_compute_remote_size( (opal_convertor_t*)pConv); in opal_convertor_get_unpacked_size()
230 *pSize = pConv->remote_size; in opal_convertor_get_unpacked_size()
241 unsigned char* base = pConv->pBaseBuf + pConv->bConverted + pConv->pDesc->true_lb; in opal_convertor_get_current_pointer()
[all …]
|
| /dports/science/openbabel/openbabel-3.1.1/src/formats/xml/ |
| H A D | xmlformat.cpp | 58 bool ReadChemObject(OBConversion* pConv) in ReadChemObject() argument
66 if(pConv->GetOutFormat()->GetType() == pDefault->GetType()) in ReadChemObject()
69 XMLConversion* pxmlConv = XMLConversion::GetDerived(pConv); in ReadChemObject()
71 return pDefault->ReadChemObject(pConv); in ReadChemObject()
81 bool ReadMolecule(OBBase* pOb, OBConversion* pConv) in ReadMolecule() argument
84 if (pConv->GetOutFormat() != nullptr && pConv->GetOutFormat()->GetType() == pDefault->GetType()) in ReadMolecule()
86 XMLConversion* pxmlConv = XMLConversion::GetDerived(pConv); in ReadMolecule()
89 return pDefault->ReadMolecule(pOb, pConv); in ReadMolecule()
|
| /dports/net/openmpi/openmpi-4.1.1/test/datatype/ |
| H A D | unpack_hetero.c | 49 opal_convertor_t * pConv; in main() local
59 pConv = opal_convertor_create( remote_arch, 0 ); in main()
61 if( OPAL_SUCCESS != opal_convertor_prepare_for_recv( pConv, &opal_datatype_int4, 1, rbuf ) ) { in main()
70 opal_unpack_general( pConv, &a, &iov_count, &max_data ); in main()
74 OBJ_RELEASE(pConv); in main()
77 pConv = opal_convertor_create( remote_arch, 0 ); in main()
79 if( OPAL_SUCCESS != opal_convertor_prepare_for_recv( pConv, &opal_datatype_int4, 2, rbuf ) ) { in main()
89 opal_unpack_general( pConv, &a, &iov_count, &max_data ); in main()
93 OBJ_RELEASE(pConv); in main()
|
| /dports/net/openmpi3/openmpi-3.1.6/test/datatype/ |
| H A D | unpack_hetero.c | 49 opal_convertor_t * pConv; in main() local
59 pConv = opal_convertor_create( remote_arch, 0 ); in main()
61 if( OPAL_SUCCESS != opal_convertor_prepare_for_recv( pConv, &opal_datatype_int4, 1, rbuf ) ) { in main()
70 opal_unpack_general( pConv, &a, &iov_count, &max_data ); in main()
74 OBJ_RELEASE(pConv); in main()
77 pConv = opal_convertor_create( remote_arch, 0 ); in main()
79 if( OPAL_SUCCESS != opal_convertor_prepare_for_recv( pConv, &opal_datatype_int4, 2, rbuf ) ) { in main()
89 opal_unpack_general( pConv, &a, &iov_count, &max_data ); in main()
93 OBJ_RELEASE(pConv); in main()
|