Pmv.APBSService

1 ################################################## 2 # ./APBSService_services.py 3 # generated by ZSI.wsdl2python 4 # 5 # 6 ################################################## 7 8 9 from APBSService_services_types import * 10 from APBSService_services_types import \ 11 nbcr_sdsc_edu_molecule_types as ns1 12 from APBSService_services_types import \ 13 nbcr_sdsc_edu_apbs_types as ns2 14 import urlparse, types 15 from ZSI.TCcompound import Struct 16 from ZSI import client 17 import ZSI 18

19 -class APBSServiceInterface:

20 - def getAPBSJobSubPortType(self, portAddress=None, **kw):

21 raise NonImplementationError, "method not implemented"

22 - def getAPBSStatusPortType(self, portAddress=None, **kw):

23 raise NonImplementationError, "method not implemented"

24 - def getAPBSBlockingPortType(self, portAddress=None, **kw):

25 raise NonImplementationError, "method not implemented"

26 27

28 -class APBSServiceLocator(APBSServiceInterface):

29 APBSJobSubPortType_address = "http://ws.nbcr.net:8080/axis/services/APBSJobSubPort"

30 - def getAPBSJobSubPortTypeAddress(self):

31 return APBSServiceLocator.APBSJobSubPortType_address

33 - def getAPBSJobSubPortType(self, portAddress=None, **kw):

34 return APBSJobSubPortTypeSoapBindingSOAP(portAddress or APBSServiceLocator.APBSJobSubPortType_address, **kw)

35 APBSStatusPortType_address = "http://ws.nbcr.net:8080/axis/services/APBSStatusPort"

36 - def getAPBSStatusPortTypeAddress(self):

37 return APBSServiceLocator.APBSStatusPortType_address

39 - def getAPBSStatusPortType(self, portAddress=None, **kw):

40 return APBSStatusPortTypeSoapBindingSOAP(portAddress or APBSServiceLocator.APBSStatusPortType_address, **kw)

41 APBSBlockingPortType_address = "http://ws.nbcr.net:8080/axis/services/APBSBlockingPort"

42 - def getAPBSBlockingPortTypeAddress(self):

43 return APBSServiceLocator.APBSBlockingPortType_address

45 - def getAPBSBlockingPortType(self, portAddress=None, **kw):

46 return APBSBlockingPortTypeSoapBindingSOAP(portAddress or APBSServiceLocator.APBSBlockingPortType_address, **kw)

47 48

49 -class APBSJobSubPortTypeSoapBindingSOAP:

51 - def __init__(self, addr, **kw):

52 netloc = (urlparse.urlparse(addr)[1]).split(":") + [80,] 53 if not kw.has_key("host"): 54 kw["host"] = netloc[0] 55 if not kw.has_key("port"): 56 kw["port"] = int(netloc[1]) 57 if not kw.has_key("url"): 58 kw["url"] = urlparse.urlparse(addr)[2] 59 self.binding = client.Binding(**kw)

60 61

62 - def calculateBindingEnergy(self, request):

63 """ 64 @param: request to calculateBindingEnergyRequest:: 65 _calculateBindingEnergyInput: ns2.BindingEnergyInputType_Def 66 _complex: ns1.MoleculeType_Def 67 _atom: ns1.AtomType_Def, optional 68 _atomName: str, optional 69 _atomNumber: int, optional 70 _atomicNumber: int, optional 71 _charge: float, optional 72 _coordinates: ns1.CoordinateType_Def, optional 73 _x: float 74 _y: float 75 _z: float 76 _elementName: str, optional 77 _fieldName: ns1.FieldNameType_Def, optional 78 _FieldNameType: str, optional 79 _radius: float, optional 80 _residueName: str, optional 81 _residueNumber: int, optional 82 _symUnique: boolean, optional 83 _moleculeName: str 84 _moleculeRadius: float, optional 85 _molecule1: ns1.MoleculeType_Def 86 _molecule2: ns1.MoleculeType_Def 87 _params: ns2.ParameterType_Def 88 _calculationParams: ns2.CalculationParamsType_Def 89 _boundaryConditions: ns2.BoundaryConditionsType_Def 90 _BoundaryConditionsType: str, optional 91 _chargeDiscretization: ns2.ChargeDiscretizationType_Def 92 _ChargeDiscretizationType: str, optional 93 _energyOutput: ns2.EnergyAndForceOutputType_Def, optional 94 _EnergyAndForceOutputType: str, optional 95 _equationType: ns2.EquationTypeType_Def 96 _EquationTypeType: str, optional 97 _forceOutput: ns2.EnergyAndForceOutputType_Def, optional 98 _outputFiles: ns2.OutputFilesType_Def, optional 99 _fileFormat: ns2.FileFormatType_Def 100 _FileFormatType: str, optional 101 _fileOutput: ns2.FileOutputType_Def 102 _FileOutputType: str, optional 103 _surfaceCoefficients: ns2.SurfaceCoefficientsType_Def 104 _SurfaceCoefficientsType: str, optional 105 _gridParams: ns2.GridParamsType_Def 106 _coarseGrid: ns2.GridType_Def 107 _centerCoords: ns1.CoordinateType_Def, optional 108 _centerMol: str, optional 109 _length: ns1.CoordinateType_Def 110 _fineGrid: ns2.GridType_Def 111 _numGridPoints: ns2.GridCardinalityType_Def 112 _x: int 113 _y: int 114 _z: int 115 _parallelParams: ns2.ParallelParamsType_Def, optional 116 _overlapFactor: float, optional 117 _procGrid: ns2.GridCardinalityType_Def 118 _physicsParams: ns2.PhysicsParamsType_Def 119 _ion: ns2.IonType_Def, optional 120 _charge: float 121 _concentration: float 122 _radius: float 123 _proteinDielectric: float 124 _sasaCoeff: float, optional 125 _solventDielectric: float 126 _solventRadius: float 127 _systemTemperature: float 128 129 @return: response from calculateBindingEnergyResponse:: 130 _calculateBindingEnergyOutput: ns2.JobSubOutputType_Def 131 _jobID: ns2.JobIDType_Def 132 _value: str 133 _status: ns2.StatusOutputType_Def 134 _baseURL: str 135 _code: int 136 _message: str 137 """ 138 139 if not isinstance(request, calculateBindingEnergyRequest) and\ 140 not issubclass(calculateBindingEnergyRequest, request.__class__): 141 raise TypeError, "%s incorrect request type" %(request.__class__) 142 kw = {} 143 response = self.binding.Send(None, None, request, soapaction="http://nbcr.sdsc.edu/apbs/calculateBindingEnergy", **kw) 144 response = self.binding.Receive(calculateBindingEnergyResponseWrapper()) 145 146 if not isinstance(response, calculateBindingEnergyResponse) and\ 147 not issubclass(calculateBindingEnergyResponse, response.__class__): 148 raise TypeError, "%s incorrect response type" %(response.__class__) 149 return response

150 151

152 - def calculateElectrostaticPotential(self, request):

153 """ 154 @param: request to calculateElectrostaticPotentialRequest:: 155 _calculateElectrostaticPotentialInput: ns2.ElectrostaticPotentialInputType_Def 156 _molecule: ns1.MoleculeType_Def 157 _atom: ns1.AtomType_Def, optional 158 _atomName: str, optional 159 _atomNumber: int, optional 160 _atomicNumber: int, optional 161 _charge: float, optional 162 _coordinates: ns1.CoordinateType_Def, optional 163 _x: float 164 _y: float 165 _z: float 166 _elementName: str, optional 167 _fieldName: ns1.FieldNameType_Def, optional 168 _FieldNameType: str, optional 169 _radius: float, optional 170 _residueName: str, optional 171 _residueNumber: int, optional 172 _symUnique: boolean, optional 173 _moleculeName: str 174 _moleculeRadius: float, optional 175 _params: ns2.ParameterType_Def 176 _calculationParams: ns2.CalculationParamsType_Def 177 _boundaryConditions: ns2.BoundaryConditionsType_Def 178 _BoundaryConditionsType: str, optional 179 _chargeDiscretization: ns2.ChargeDiscretizationType_Def 180 _ChargeDiscretizationType: str, optional 181 _energyOutput: ns2.EnergyAndForceOutputType_Def, optional 182 _EnergyAndForceOutputType: str, optional 183 _equationType: ns2.EquationTypeType_Def 184 _EquationTypeType: str, optional 185 _forceOutput: ns2.EnergyAndForceOutputType_Def, optional 186 _outputFiles: ns2.OutputFilesType_Def, optional 187 _fileFormat: ns2.FileFormatType_Def 188 _FileFormatType: str, optional 189 _fileOutput: ns2.FileOutputType_Def 190 _FileOutputType: str, optional 191 _surfaceCoefficients: ns2.SurfaceCoefficientsType_Def 192 _SurfaceCoefficientsType: str, optional 193 _gridParams: ns2.GridParamsType_Def 194 _coarseGrid: ns2.GridType_Def 195 _centerCoords: ns1.CoordinateType_Def, optional 196 _centerMol: str, optional 197 _length: ns1.CoordinateType_Def 198 _fineGrid: ns2.GridType_Def 199 _numGridPoints: ns2.GridCardinalityType_Def 200 _x: int 201 _y: int 202 _z: int 203 _parallelParams: ns2.ParallelParamsType_Def, optional 204 _overlapFactor: float, optional 205 _procGrid: ns2.GridCardinalityType_Def 206 _physicsParams: ns2.PhysicsParamsType_Def 207 _ion: ns2.IonType_Def, optional 208 _charge: float 209 _concentration: float 210 _radius: float 211 _proteinDielectric: float 212 _sasaCoeff: float, optional 213 _solventDielectric: float 214 _solventRadius: float 215 _systemTemperature: float 216 217 @return: response from calculateElectrostaticPotentialResponse:: 218 _calculateElectrostaticPotentialOutput: ns2.JobSubOutputType_Def 219 _jobID: ns2.JobIDType_Def 220 _value: str 221 _status: ns2.StatusOutputType_Def 222 _baseURL: str 223 _code: int 224 _message: str 225 """ 226 227 if not isinstance(request, calculateElectrostaticPotentialRequest) and\ 228 not issubclass(calculateElectrostaticPotentialRequest, request.__class__): 229 raise TypeError, "%s incorrect request type" %(request.__class__) 230 kw = {} 231 response = self.binding.Send(None, None, request, soapaction="http://nbcr.sdsc.edu/apbs/calculateElectrostaticPotential", **kw) 232 response = self.binding.Receive(calculateElectrostaticPotentialResponseWrapper()) 233 234 if not isinstance(response, calculateElectrostaticPotentialResponse) and\ 235 not issubclass(calculateElectrostaticPotentialResponse, response.__class__): 236 raise TypeError, "%s incorrect response type" %(response.__class__) 237 return response

238 239

240 - def calculateSolvationEnergy(self, request):

241 """ 242 @param: request to calculateSolvationEnergyRequest:: 243 _calculateSolvationEnergyInput: ns2.SolvationEnergyInputType_Def 244 _molecule: ns1.MoleculeType_Def 245 _atom: ns1.AtomType_Def, optional 246 _atomName: str, optional 247 _atomNumber: int, optional 248 _atomicNumber: int, optional 249 _charge: float, optional 250 _coordinates: ns1.CoordinateType_Def, optional 251 _x: float 252 _y: float 253 _z: float 254 _elementName: str, optional 255 _fieldName: ns1.FieldNameType_Def, optional 256 _FieldNameType: str, optional 257 _radius: float, optional 258 _residueName: str, optional 259 _residueNumber: int, optional 260 _symUnique: boolean, optional 261 _moleculeName: str 262 _moleculeRadius: float, optional 263 _params: ns2.ParameterType_Def 264 _calculationParams: ns2.CalculationParamsType_Def 265 _boundaryConditions: ns2.BoundaryConditionsType_Def 266 _BoundaryConditionsType: str, optional 267 _chargeDiscretization: ns2.ChargeDiscretizationType_Def 268 _ChargeDiscretizationType: str, optional 269 _energyOutput: ns2.EnergyAndForceOutputType_Def, optional 270 _EnergyAndForceOutputType: str, optional 271 _equationType: ns2.EquationTypeType_Def 272 _EquationTypeType: str, optional 273 _forceOutput: ns2.EnergyAndForceOutputType_Def, optional 274 _outputFiles: ns2.OutputFilesType_Def, optional 275 _fileFormat: ns2.FileFormatType_Def 276 _FileFormatType: str, optional 277 _fileOutput: ns2.FileOutputType_Def 278 _FileOutputType: str, optional 279 _surfaceCoefficients: ns2.SurfaceCoefficientsType_Def 280 _SurfaceCoefficientsType: str, optional 281 _gridParams: ns2.GridParamsType_Def 282 _coarseGrid: ns2.GridType_Def 283 _centerCoords: ns1.CoordinateType_Def, optional 284 _centerMol: str, optional 285 _length: ns1.CoordinateType_Def 286 _fineGrid: ns2.GridType_Def 287 _numGridPoints: ns2.GridCardinalityType_Def 288 _x: int 289 _y: int 290 _z: int 291 _parallelParams: ns2.ParallelParamsType_Def, optional 292 _overlapFactor: float, optional 293 _procGrid: ns2.GridCardinalityType_Def 294 _physicsParams: ns2.PhysicsParamsType_Def 295 _ion: ns2.IonType_Def, optional 296 _charge: float 297 _concentration: float 298 _radius: float 299 _proteinDielectric: float 300 _sasaCoeff: float, optional 301 _solventDielectric: float 302 _solventRadius: float 303 _systemTemperature: float 304 305 @return: response from calculateSolvationEnergyResponse:: 306 _calculateSolvationEnergyOutput: ns2.JobSubOutputType_Def 307 _jobID: ns2.JobIDType_Def 308 _value: str 309 _status: ns2.StatusOutputType_Def 310 _baseURL: str 311 _code: int 312 _message: str 313 """ 314 315 if not isinstance(request, calculateSolvationEnergyRequest) and\ 316 not issubclass(calculateSolvationEnergyRequest, request.__class__): 317 raise TypeError, "%s incorrect request type" %(request.__class__) 318 kw = {} 319 response = self.binding.Send(None, None, request, soapaction="http://nbcr.sdsc.edu/apbs/calculateSolvationEnergy", **kw) 320 response = self.binding.Receive(calculateSolvationEnergyResponseWrapper()) 321 322 if not isinstance(response, calculateSolvationEnergyResponse) and\ 323 not issubclass(calculateSolvationEnergyResponse, response.__class__): 324 raise TypeError, "%s incorrect response type" %(response.__class__) 325 return response

326 327 328

329 -class APBSStatusPortTypeSoapBindingSOAP:

330

331 - def __init__(self, addr, **kw):

332 netloc = (urlparse.urlparse(addr)[1]).split(":") + [80,] 333 if not kw.has_key("host"): 334 kw["host"] = netloc[0] 335 if not kw.has_key("port"): 336 kw["port"] = int(netloc[1]) 337 if not kw.has_key("url"): 338 kw["url"] = urlparse.urlparse(addr)[2] 339 self.binding = client.Binding(**kw)

340 341

342 - def destroy(self, request):

343 """ 344 @param: request to destroyRequest:: 345 _destroyInput: ns2.JobIDType_Def 346 _value: str 347 348 @return: response from destroyResponse """ 349 350 if not isinstance(request, destroyRequest) and\ 351 not issubclass(destroyRequest, request.__class__): 352 raise TypeError, "%s incorrect request type" %(request.__class__) 353 kw = {} 354 response = self.binding.Send(None, None, request, soapaction="http://nbcr.sdsc.edu/apbs/destroy", **kw) 355 response = self.binding.Receive(destroyResponseWrapper()) 356 357 if not isinstance(response, destroyResponse) and\ 358 not issubclass(destroyResponse, response.__class__): 359 raise TypeError, "%s incorrect response type" %(response.__class__) 360 return response

361 362

363 - def getOutputs(self, request):

364 """ 365 @param: request to getOutputsRequest:: 366 _getOutputsInput: ns2.JobIDType_Def 367 _value: str 368 369 @return: response from getOutputsResponse:: 370 _getOutputsOutput: ns2.APBSOutputType_Def 371 _apbsIn: str 372 _mcOut: str 373 _moleculeIn: ns2.MoleculeInType_Def 374 _format: ns2.MoleculeFormatType_Def 375 _MoleculeFormatType: str, optional 376 _name: str 377 _url: str 378 _moleculeOut: ns2.MoleculeOutType_Def, optional 379 _format: ns2.FileFormatType_Def 380 _FileFormatType: str, optional 381 _name: str 382 _type: ns2.FileOutputType_Def 383 _FileOutputType: str, optional 384 _url: str 385 _stdErr: str 386 _stdOut: str 387 """ 388 389 if not isinstance(request, getOutputsRequest) and\ 390 not issubclass(getOutputsRequest, request.__class__): 391 raise TypeError, "%s incorrect request type" %(request.__class__) 392 kw = {} 393 response = self.binding.Send(None, None, request, soapaction="http://nbcr.sdsc.edu/apbs/getOutputs", **kw) 394 response = self.binding.Receive(getOutputsResponseWrapper()) 395 396 if not isinstance(response, getOutputsResponse) and\ 397 not issubclass(getOutputsResponse, response.__class__): 398 raise TypeError, "%s incorrect response type" %(response.__class__) 399 return response

400 401

402 - def queryStatus(self, request):

403 """ 404 @param: request to queryStatusRequest:: 405 _queryStatusInput: ns2.JobIDType_Def 406 _value: str 407 408 @return: response from queryStatusResponse:: 409 _queryStatusOutput: ns2.StatusOutputType_Def 410 _baseURL: str 411 _code: int 412 _message: str 413 """ 414 415 if not isinstance(request, queryStatusRequest) and\ 416 not issubclass(queryStatusRequest, request.__class__): 417 raise TypeError, "%s incorrect request type" %(request.__class__) 418 kw = {} 419 response = self.binding.Send(None, None, request, soapaction="http://nbcr.sdsc.edu/apbs/queryStatus", **kw) 420 response = self.binding.Receive(queryStatusResponseWrapper()) 421 422 if not isinstance(response, queryStatusResponse) and\ 423 not issubclass(queryStatusResponse, response.__class__): 424 raise TypeError, "%s incorrect response type" %(response.__class__) 425 return response

426 427 428

429 -class APBSBlockingPortTypeSoapBindingSOAP:

430

431 - def __init__(self, addr, **kw):

432 netloc = (urlparse.urlparse(addr)[1]).split(":") + [80,] 433 if not kw.has_key("host"): 434 kw["host"] = netloc[0] 435 if not kw.has_key("port"): 436 kw["port"] = int(netloc[1]) 437 if not kw.has_key("url"): 438 kw["url"] = urlparse.urlparse(addr)[2] 439 self.binding = client.Binding(**kw)

440 441

442 - def calculateBindingEnergyBlocking(self, request):

443 """ 444 @param: request to calculateBindingEnergyBlockingRequest:: 445 _calculateBindingEnergyBlockingInput: ns2.BindingEnergyInputType_Def 446 _complex: ns1.MoleculeType_Def 447 _atom: ns1.AtomType_Def, optional 448 _atomName: str, optional 449 _atomNumber: int, optional 450 _atomicNumber: int, optional 451 _charge: float, optional 452 _coordinates: ns1.CoordinateType_Def, optional 453 _x: float 454 _y: float 455 _z: float 456 _elementName: str, optional 457 _fieldName: ns1.FieldNameType_Def, optional 458 _FieldNameType: str, optional 459 _radius: float, optional 460 _residueName: str, optional 461 _residueNumber: int, optional 462 _symUnique: boolean, optional 463 _moleculeName: str 464 _moleculeRadius: float, optional 465 _molecule1: ns1.MoleculeType_Def 466 _molecule2: ns1.MoleculeType_Def 467 _params: ns2.ParameterType_Def 468 _calculationParams: ns2.CalculationParamsType_Def 469 _boundaryConditions: ns2.BoundaryConditionsType_Def 470 _BoundaryConditionsType: str, optional 471 _chargeDiscretization: ns2.ChargeDiscretizationType_Def 472 _ChargeDiscretizationType: str, optional 473 _energyOutput: ns2.EnergyAndForceOutputType_Def, optional 474 _EnergyAndForceOutputType: str, optional 475 _equationType: ns2.EquationTypeType_Def 476 _EquationTypeType: str, optional 477 _forceOutput: ns2.EnergyAndForceOutputType_Def, optional 478 _outputFiles: ns2.OutputFilesType_Def, optional 479 _fileFormat: ns2.FileFormatType_Def 480 _FileFormatType: str, optional 481 _fileOutput: ns2.FileOutputType_Def 482 _FileOutputType: str, optional 483 _surfaceCoefficients: ns2.SurfaceCoefficientsType_Def 484 _SurfaceCoefficientsType: str, optional 485 _gridParams: ns2.GridParamsType_Def 486 _coarseGrid: ns2.GridType_Def 487 _centerCoords: ns1.CoordinateType_Def, optional 488 _centerMol: str, optional 489 _length: ns1.CoordinateType_Def 490 _fineGrid: ns2.GridType_Def 491 _numGridPoints: ns2.GridCardinalityType_Def 492 _x: int 493 _y: int 494 _z: int 495 _parallelParams: ns2.ParallelParamsType_Def, optional 496 _overlapFactor: float, optional 497 _procGrid: ns2.GridCardinalityType_Def 498 _physicsParams: ns2.PhysicsParamsType_Def 499 _ion: ns2.IonType_Def, optional 500 _charge: float 501 _concentration: float 502 _radius: float 503 _proteinDielectric: float 504 _sasaCoeff: float, optional 505 _solventDielectric: float 506 _solventRadius: float 507 _systemTemperature: float 508 509 @return: response from calculateBindingEnergyBlockingResponse:: 510 _calculateBindingEnergyBlockingOutput: ns2.BlockingOutputType_Def 511 _apbsOut: ns2.APBSOutputType_Def 512 _apbsIn: str 513 _mcOut: str 514 _moleculeIn: ns2.MoleculeInType_Def 515 _format: ns2.MoleculeFormatType_Def 516 _MoleculeFormatType: str, optional 517 _name: str 518 _url: str 519 _moleculeOut: ns2.MoleculeOutType_Def, optional 520 _format: ns2.FileFormatType_Def 521 _FileFormatType: str, optional 522 _name: str 523 _type: ns2.FileOutputType_Def 524 _FileOutputType: str, optional 525 _url: str 526 _stdErr: str 527 _stdOut: str 528 _status: ns2.StatusOutputType_Def 529 _baseURL: str 530 _code: int 531 _message: str 532 """ 533 534 if not isinstance(request, calculateBindingEnergyBlockingRequest) and\ 535 not issubclass(calculateBindingEnergyBlockingRequest, request.__class__): 536 raise TypeError, "%s incorrect request type" %(request.__class__) 537 kw = {} 538 response = self.binding.Send(None, None, request, soapaction="http://nbcr.sdsc.edu/apbs/calculateBindingEnergyBlocking", **kw) 539 response = self.binding.Receive(calculateBindingEnergyBlockingResponseWrapper()) 540 541 if not isinstance(response, calculateBindingEnergyBlockingResponse) and\ 542 not issubclass(calculateBindingEnergyBlockingResponse, response.__class__): 543 raise TypeError, "%s incorrect response type" %(response.__class__) 544 return response

545 546

547 - def calculateElectrostaticPotentialBlocking(self, request):

548 """ 549 @param: request to calculateElectrostaticPotentialBlockingRequest:: 550 _calculateElectrostaticPotentialBlockingInput: ns2.ElectrostaticPotentialInputType_Def 551 _molecule: ns1.MoleculeType_Def 552 _atom: ns1.AtomType_Def, optional 553 _atomName: str, optional 554 _atomNumber: int, optional 555 _atomicNumber: int, optional 556 _charge: float, optional 557 _coordinates: ns1.CoordinateType_Def, optional 558 _x: float 559 _y: float 560 _z: float 561 _elementName: str, optional 562 _fieldName: ns1.FieldNameType_Def, optional 563 _FieldNameType: str, optional 564 _radius: float, optional 565 _residueName: str, optional 566 _residueNumber: int, optional 567 _symUnique: boolean, optional 568 _moleculeName: str 569 _moleculeRadius: float, optional 570 _params: ns2.ParameterType_Def 571 _calculationParams: ns2.CalculationParamsType_Def 572 _boundaryConditions: ns2.BoundaryConditionsType_Def 573 _BoundaryConditionsType: str, optional 574 _chargeDiscretization: ns2.ChargeDiscretizationType_Def 575 _ChargeDiscretizationType: str, optional 576 _energyOutput: ns2.EnergyAndForceOutputType_Def, optional 577 _EnergyAndForceOutputType: str, optional 578 _equationType: ns2.EquationTypeType_Def 579 _EquationTypeType: str, optional 580 _forceOutput: ns2.EnergyAndForceOutputType_Def, optional 581 _outputFiles: ns2.OutputFilesType_Def, optional 582 _fileFormat: ns2.FileFormatType_Def 583 _FileFormatType: str, optional 584 _fileOutput: ns2.FileOutputType_Def 585 _FileOutputType: str, optional 586 _surfaceCoefficients: ns2.SurfaceCoefficientsType_Def 587 _SurfaceCoefficientsType: str, optional 588 _gridParams: ns2.GridParamsType_Def 589 _coarseGrid: ns2.GridType_Def 590 _centerCoords: ns1.CoordinateType_Def, optional 591 _centerMol: str, optional 592 _length: ns1.CoordinateType_Def 593 _fineGrid: ns2.GridType_Def 594 _numGridPoints: ns2.GridCardinalityType_Def 595 _x: int 596 _y: int 597 _z: int 598 _parallelParams: ns2.ParallelParamsType_Def, optional 599 _overlapFactor: float, optional 600 _procGrid: ns2.GridCardinalityType_Def 601 _physicsParams: ns2.PhysicsParamsType_Def 602 _ion: ns2.IonType_Def, optional 603 _charge: float 604 _concentration: float 605 _radius: float 606 _proteinDielectric: float 607 _sasaCoeff: float, optional 608 _solventDielectric: float 609 _solventRadius: float 610 _systemTemperature: float 611 612 @return: response from calculateElectrostaticPotentialBlockingResponse:: 613 _calculateElectrostaticPotentialBlockingOutput: ns2.BlockingOutputType_Def 614 _apbsOut: ns2.APBSOutputType_Def 615 _apbsIn: str 616 _mcOut: str 617 _moleculeIn: ns2.MoleculeInType_Def 618 _format: ns2.MoleculeFormatType_Def 619 _MoleculeFormatType: str, optional 620 _name: str 621 _url: str 622 _moleculeOut: ns2.MoleculeOutType_Def, optional 623 _format: ns2.FileFormatType_Def 624 _FileFormatType: str, optional 625 _name: str 626 _type: ns2.FileOutputType_Def 627 _FileOutputType: str, optional 628 _url: str 629 _stdErr: str 630 _stdOut: str 631 _status: ns2.StatusOutputType_Def 632 _baseURL: str 633 _code: int 634 _message: str 635 """ 636 637 if not isinstance(request, calculateElectrostaticPotentialBlockingRequest) and\ 638 not issubclass(calculateElectrostaticPotentialBlockingRequest, request.__class__): 639 raise TypeError, "%s incorrect request type" %(request.__class__) 640 kw = {} 641 response = self.binding.Send(None, None, request, soapaction="http://nbcr.sdsc.edu/apbs/calculateElectrostaticPotentialBlocking", **kw) 642 response = self.binding.Receive(calculateElectrostaticPotentialBlockingResponseWrapper()) 643 644 if not isinstance(response, calculateElectrostaticPotentialBlockingResponse) and\ 645 not issubclass(calculateElectrostaticPotentialBlockingResponse, response.__class__): 646 raise TypeError, "%s incorrect response type" %(response.__class__) 647 return response

648 649

650 - def calculateSolvationEnergyBlocking(self, request):

651 """ 652 @param: request to calculateSolvationEnergyBlockingRequest:: 653 _calculateSolvationEnergyBlockingInput: ns2.SolvationEnergyInputType_Def 654 _molecule: ns1.MoleculeType_Def 655 _atom: ns1.AtomType_Def, optional 656 _atomName: str, optional 657 _atomNumber: int, optional 658 _atomicNumber: int, optional 659 _charge: float, optional 660 _coordinates: ns1.CoordinateType_Def, optional 661 _x: float 662 _y: float 663 _z: float 664 _elementName: str, optional 665 _fieldName: ns1.FieldNameType_Def, optional 666 _FieldNameType: str, optional 667 _radius: float, optional 668 _residueName: str, optional 669 _residueNumber: int, optional 670 _symUnique: boolean, optional 671 _moleculeName: str 672 _moleculeRadius: float, optional 673 _params: ns2.ParameterType_Def 674 _calculationParams: ns2.CalculationParamsType_Def 675 _boundaryConditions: ns2.BoundaryConditionsType_Def 676 _BoundaryConditionsType: str, optional 677 _chargeDiscretization: ns2.ChargeDiscretizationType_Def 678 _ChargeDiscretizationType: str, optional 679 _energyOutput: ns2.EnergyAndForceOutputType_Def, optional 680 _EnergyAndForceOutputType: str, optional 681 _equationType: ns2.EquationTypeType_Def 682 _EquationTypeType: str, optional 683 _forceOutput: ns2.EnergyAndForceOutputType_Def, optional 684 _outputFiles: ns2.OutputFilesType_Def, optional 685 _fileFormat: ns2.FileFormatType_Def 686 _FileFormatType: str, optional 687 _fileOutput: ns2.FileOutputType_Def 688 _FileOutputType: str, optional 689 _surfaceCoefficients: ns2.SurfaceCoefficientsType_Def 690 _SurfaceCoefficientsType: str, optional 691 _gridParams: ns2.GridParamsType_Def 692 _coarseGrid: ns2.GridType_Def 693 _centerCoords: ns1.CoordinateType_Def, optional 694 _centerMol: str, optional 695 _length: ns1.CoordinateType_Def 696 _fineGrid: ns2.GridType_Def 697 _numGridPoints: ns2.GridCardinalityType_Def 698 _x: int 699 _y: int 700 _z: int 701 _parallelParams: ns2.ParallelParamsType_Def, optional 702 _overlapFactor: float, optional 703 _procGrid: ns2.GridCardinalityType_Def 704 _physicsParams: ns2.PhysicsParamsType_Def 705 _ion: ns2.IonType_Def, optional 706 _charge: float 707 _concentration: float 708 _radius: float 709 _proteinDielectric: float 710 _sasaCoeff: float, optional 711 _solventDielectric: float 712 _solventRadius: float 713 _systemTemperature: float 714 715 @return: response from calculateSolvationEnergyBlockingResponse:: 716 _calculateSolvationEnergyBlockingOutput: ns2.BlockingOutputType_Def 717 _apbsOut: ns2.APBSOutputType_Def 718 _apbsIn: str 719 _mcOut: str 720 _moleculeIn: ns2.MoleculeInType_Def 721 _format: ns2.MoleculeFormatType_Def 722 _MoleculeFormatType: str, optional 723 _name: str 724 _url: str 725 _moleculeOut: ns2.MoleculeOutType_Def, optional 726 _format: ns2.FileFormatType_Def 727 _FileFormatType: str, optional 728 _name: str 729 _type: ns2.FileOutputType_Def 730 _FileOutputType: str, optional 731 _url: str 732 _stdErr: str 733 _stdOut: str 734 _status: ns2.StatusOutputType_Def 735 _baseURL: str 736 _code: int 737 _message: str 738 """ 739 740 if not isinstance(request, calculateSolvationEnergyBlockingRequest) and\ 741 not issubclass(calculateSolvationEnergyBlockingRequest, request.__class__): 742 raise TypeError, "%s incorrect request type" %(request.__class__) 743 kw = {} 744 response = self.binding.Send(None, None, request, soapaction="http://nbcr.sdsc.edu/apbs/calculateSolvationEnergyBlocking", **kw) 745 response = self.binding.Receive(calculateSolvationEnergyBlockingResponseWrapper()) 746 747 if not isinstance(response, calculateSolvationEnergyBlockingResponse) and\ 748 not issubclass(calculateSolvationEnergyBlockingResponse, response.__class__): 749 raise TypeError, "%s incorrect response type" %(response.__class__) 750 return response

751 752 753

754 -class calculateBindingEnergyBlockingRequest(ns2.calculateBindingEnergyBlockingInput_Dec):

755 if not hasattr( ns2.calculateBindingEnergyBlockingInput_Dec(), "typecode" ): 756 typecode = ns2.calculateBindingEnergyBlockingInput_Dec() 757

758 - def __init__(self, name=None, ns=None):

759 ns2.calculateBindingEnergyBlockingInput_Dec.__init__(self, name=None, ns=None)

760

761 -class calculateBindingEnergyBlockingRequestWrapper(calculateBindingEnergyBlockingRequest):

762 """wrapper for document:literal message""" 763 764 typecode = calculateBindingEnergyBlockingRequest( name=None, ns=None ).typecode

765 - def __init__( self, name=None, ns=None, **kw ):

766 calculateBindingEnergyBlockingRequest.__init__( self, name=None, ns=None )

767

768 -class calculateBindingEnergyBlockingResponse(ns2.calculateBindingEnergyBlockingOutput_Dec):

769 if not hasattr( ns2.calculateBindingEnergyBlockingOutput_Dec(), "typecode" ): 770 typecode = ns2.calculateBindingEnergyBlockingOutput_Dec() 771

772 - def __init__(self, name=None, ns=None):

773 ns2.calculateBindingEnergyBlockingOutput_Dec.__init__(self, name=None, ns=None)

774

775 -class calculateBindingEnergyBlockingResponseWrapper(calculateBindingEnergyBlockingResponse):

776 """wrapper for document:literal message""" 777 778 typecode = calculateBindingEnergyBlockingResponse( name=None, ns=None ).typecode

779 - def __init__( self, name=None, ns=None, **kw ):

780 calculateBindingEnergyBlockingResponse.__init__( self, name=None, ns=None )

781

782 -class calculateBindingEnergyRequest(ns2.calculateBindingEnergyInput_Dec):

783 if not hasattr( ns2.calculateBindingEnergyInput_Dec(), "typecode" ): 784 typecode = ns2.calculateBindingEnergyInput_Dec() 785

786 - def __init__(self, name=None, ns=None):

787 ns2.calculateBindingEnergyInput_Dec.__init__(self, name=None, ns=None)

788

789 -class calculateBindingEnergyRequestWrapper(calculateBindingEnergyRequest):

790 """wrapper for document:literal message""" 791 792 typecode = calculateBindingEnergyRequest( name=None, ns=None ).typecode

793 - def __init__( self, name=None, ns=None, **kw ):

794 calculateBindingEnergyRequest.__init__( self, name=None, ns=None )

795

796 -class calculateBindingEnergyResponse(ns2.calculateBindingEnergyOutput_Dec):

797 if not hasattr( ns2.calculateBindingEnergyOutput_Dec(), "typecode" ): 798 typecode = ns2.calculateBindingEnergyOutput_Dec() 799

800 - def __init__(self, name=None, ns=None):

801 ns2.calculateBindingEnergyOutput_Dec.__init__(self, name=None, ns=None)

802

803 -class calculateBindingEnergyResponseWrapper(calculateBindingEnergyResponse):

804 """wrapper for document:literal message""" 805 806 typecode = calculateBindingEnergyResponse( name=None, ns=None ).typecode

807 - def __init__( self, name=None, ns=None, **kw ):

808 calculateBindingEnergyResponse.__init__( self, name=None, ns=None )

809

810 -class calculateElectrostaticPotentialBlockingRequest(ns2.calculateElectrostaticPotentialBlockingInput_Dec):

811 if not hasattr( ns2.calculateElectrostaticPotentialBlockingInput_Dec(), "typecode" ): 812 typecode = ns2.calculateElectrostaticPotentialBlockingInput_Dec() 813

814 - def __init__(self, name=None, ns=None):

815 ns2.calculateElectrostaticPotentialBlockingInput_Dec.__init__(self, name=None, ns=None)

816

817 -class calculateElectrostaticPotentialBlockingRequestWrapper(calculateElectrostaticPotentialBlockingRequest):

818 """wrapper for document:literal message""" 819 820 typecode = calculateElectrostaticPotentialBlockingRequest( name=None, ns=None ).typecode

821 - def __init__( self, name=None, ns=None, **kw ):

822 calculateElectrostaticPotentialBlockingRequest.__init__( self, name=None, ns=None )

823

824 -class calculateElectrostaticPotentialBlockingResponse(ns2.calculateElectrostaticPotentialBlockingOutput_Dec):

825 if not hasattr( ns2.calculateElectrostaticPotentialBlockingOutput_Dec(), "typecode" ): 826 typecode = ns2.calculateElectrostaticPotentialBlockingOutput_Dec() 827

828 - def __init__(self, name=None, ns=None):

829 ns2.calculateElectrostaticPotentialBlockingOutput_Dec.__init__(self, name=None, ns=None)

830

831 -class calculateElectrostaticPotentialBlockingResponseWrapper(calculateElectrostaticPotentialBlockingResponse):

832 """wrapper for document:literal message""" 833 834 typecode = calculateElectrostaticPotentialBlockingResponse( name=None, ns=None ).typecode

835 - def __init__( self, name=None, ns=None, **kw ):

Source Code for Module Pmv.APBSService_services