Changeset db03406 in sasmodels
- Timestamp:
- Dec 1, 2017 2:36:52 PM (7 years ago)
- Children:
- 13cf47a
- Parents:
- 791281c
- Location:
- sasmodels
- Files:
-
- 2 added
- 3 edited
Legend:
- Unmodified
- Added
- Removed
-
sasmodels/generate.py
r2d81cfe rdb03406 709 709 _add_source(source, code, path) 710 710 711 if model_info.c_code: 712 source.append(model_info.c_code) 713 711 714 # Make parameters for q, qx, qy so that we can use them in declarations 712 715 q, qx, qy = [Parameter(name=v) for v in ('q', 'qx', 'qy')] -
sasmodels/modelinfo.py
r2d81cfe rdb03406 12 12 from os.path import abspath, basename, splitext 13 13 import inspect 14 import logging 14 15 15 16 import numpy as np # type: ignore 17 18 from . import autoc 16 19 17 20 # Optional typing … … 32 35 TestCondition = Tuple[ParameterSetUser, TestInput, TestValue] 33 36 # pylint: enable=unused-import 37 38 logger = logging.getLogger(__name__) 34 39 35 40 # If MAX_PD changes, need to change the loop macros in kernel_iq.c … … 789 794 info.structure_factor = getattr(kernel_module, 'structure_factor', False) 790 795 info.profile_axes = getattr(kernel_module, 'profile_axes', ['x', 'y']) 796 info.c_code = getattr(kernel_module, 'c_code', None) 791 797 info.source = getattr(kernel_module, 'source', []) 792 798 # TODO: check the structure of the tests … … 812 818 813 819 _find_source_lines(info, kernel_module) 820 try: 821 autoc.convert(info, kernel_module) 822 except Exception as exc: 823 raise 824 logger.warn(str(exc)) 814 825 815 826 return info … … 935 946 #: See :attr:`ER` for details on the parameters. 936 947 VR = None # type: Optional[Callable[[np.ndarray], Tuple[np.ndarray, np.ndarray]]] 948 #: Arbitrary C code containing supporting functions, etc., to be inserted 949 #: after everything in source. This can include Iq and Iqxy functions with 950 #: the full function signature, including all parameters. 951 c_code = None 937 952 #: Returns the form volume for python-based models. Form volume is needed 938 953 #: for volume normalization in the polydispersity integral. If no -
sasmodels/special.py
re65c3ba rdb03406 205 205 from numpy import arctan2 as atan2 206 206 from numpy import fmin, fmax, trunc, rint 207 from numpy import NAN, inf as INFINITY 207 from numpy import pi, nan, inf 208 NAN = nan 209 INFINITY = inf 208 210 209 211 from scipy.special import gamma as sas_gamma … … 226 228 """return sin(x), cos(x)""" 227 229 return sin(x), cos(x) 230 sincos = SINCOS 228 231 229 232 def square(x): … … 294 297 295 298 # Gaussians 296 297 Gauss20Wt = np.array([ 298 .0176140071391521, 299 .0406014298003869, 300 .0626720483341091, 301 .0832767415767047, 302 .10193011981724, 303 .118194531961518, 304 .131688638449177, 305 .142096109318382, 306 .149172986472604, 307 .152753387130726, 308 .152753387130726, 309 .149172986472604, 310 .142096109318382, 311 .131688638449177, 312 .118194531961518, 313 .10193011981724, 314 .0832767415767047, 315 .0626720483341091, 316 .0406014298003869, 317 .0176140071391521 318 ]) 319 320 Gauss20Z = np.array([ 321 -.993128599185095, 322 -.963971927277914, 323 -.912234428251326, 324 -.839116971822219, 325 -.746331906460151, 326 -.636053680726515, 327 -.510867001950827, 328 -.37370608871542, 329 -.227785851141645, 330 -.076526521133497, 331 .0765265211334973, 332 .227785851141645, 333 .37370608871542, 334 .510867001950827, 335 .636053680726515, 336 .746331906460151, 337 .839116971822219, 338 .912234428251326, 339 .963971927277914, 340 .993128599185095 341 ]) 342 343 Gauss76Wt = np.array([ 344 .00126779163408536, #0 345 .00294910295364247, 346 .00462793522803742, 347 .00629918049732845, 348 .00795984747723973, 349 .00960710541471375, 350 .0112381685696677, 351 .0128502838475101, 352 .0144407317482767, 353 .0160068299122486, 354 .0175459372914742, #10 355 .0190554584671906, 356 .020532847967908, 357 .0219756145344162, 358 .0233813253070112, 359 .0247476099206597, 360 .026072164497986, 361 .0273527555318275, 362 .028587223650054, 363 .029773487255905, 364 .0309095460374916, #20 365 .0319934843404216, 366 .0330234743977917, 367 .0339977794120564, 368 .0349147564835508, 369 .0357728593807139, 370 .0365706411473296, 371 .0373067565423816, 372 .0379799643084053, 373 .0385891292645067, 374 .0391332242205184, #30 375 .0396113317090621, 376 .0400226455325968, 377 .040366472122844, 378 .0406422317102947, 379 .0408494593018285, 380 .040987805464794, 381 .0410570369162294, 382 .0410570369162294, 383 .040987805464794, 384 .0408494593018285, #40 385 .0406422317102947, 386 .040366472122844, 387 .0400226455325968, 388 .0396113317090621, 389 .0391332242205184, 390 .0385891292645067, 391 .0379799643084053, 392 .0373067565423816, 393 .0365706411473296, 394 .0357728593807139, #50 395 .0349147564835508, 396 .0339977794120564, 397 .0330234743977917, 398 .0319934843404216, 399 .0309095460374916, 400 .029773487255905, 401 .028587223650054, 402 .0273527555318275, 403 .026072164497986, 404 .0247476099206597, #60 405 .0233813253070112, 406 .0219756145344162, 407 .020532847967908, 408 .0190554584671906, 409 .0175459372914742, 410 .0160068299122486, 411 .0144407317482767, 412 .0128502838475101, 413 .0112381685696677, 414 .00960710541471375, #70 415 .00795984747723973, 416 .00629918049732845, 417 .00462793522803742, 418 .00294910295364247, 419 .00126779163408536 #75 (indexed from 0) 420 ]) 421 422 Gauss76Z = np.array([ 423 -.999505948362153, #0 424 -.997397786355355, 425 -.993608772723527, 426 -.988144453359837, 427 -.981013938975656, 428 -.972229228520377, 429 -.961805126758768, 430 -.949759207710896, 431 -.936111781934811, 432 -.92088586125215, 433 -.904107119545567, #10 434 -.885803849292083, 435 -.866006913771982, 436 -.844749694983342, 437 -.822068037328975, 438 -.7980001871612, 439 -.77258672828181, 440 -.74587051350361, 441 -.717896592387704, 442 -.688712135277641, 443 -.658366353758143, #20 444 -.626910417672267, 445 -.594397368836793, 446 -.560882031601237, 447 -.526420920401243, 448 -.491072144462194, 449 -.454895309813726, 450 -.417951418780327, 451 -.380302767117504, 452 -.342012838966962, 453 -.303146199807908, #30 454 -.263768387584994, 455 -.223945802196474, 456 -.183745593528914, 457 -.143235548227268, 458 -.102483975391227, 459 -.0615595913906112, 460 -.0205314039939986, 461 .0205314039939986, 462 .0615595913906112, 463 .102483975391227, #40 464 .143235548227268, 465 .183745593528914, 466 .223945802196474, 467 .263768387584994, 468 .303146199807908, 469 .342012838966962, 470 .380302767117504, 471 .417951418780327, 472 .454895309813726, 473 .491072144462194, #50 474 .526420920401243, 475 .560882031601237, 476 .594397368836793, 477 .626910417672267, 478 .658366353758143, 479 .688712135277641, 480 .717896592387704, 481 .74587051350361, 482 .77258672828181, 483 .7980001871612, #60 484 .822068037328975, 485 .844749694983342, 486 .866006913771982, 487 .885803849292083, 488 .904107119545567, 489 .92088586125215, 490 .936111781934811, 491 .949759207710896, 492 .961805126758768, 493 .972229228520377, #70 494 .981013938975656, 495 .988144453359837, 496 .993608772723527, 497 .997397786355355, 498 .999505948362153 #75 499 ]) 500 501 Gauss150Z = np.array([ 502 -0.9998723404457334, 503 -0.9993274305065947, 504 -0.9983473449340834, 505 -0.9969322929775997, 506 -0.9950828645255290, 507 -0.9927998590434373, 508 -0.9900842691660192, 509 -0.9869372772712794, 510 -0.9833602541697529, 511 -0.9793547582425894, 512 -0.9749225346595943, 513 -0.9700655145738374, 514 -0.9647858142586956, 515 -0.9590857341746905, 516 -0.9529677579610971, 517 -0.9464345513503147, 518 -0.9394889610042837, 519 -0.9321340132728527, 520 -0.9243729128743136, 521 -0.9162090414984952, 522 -0.9076459563329236, 523 -0.8986873885126239, 524 -0.8893372414942055, 525 -0.8795995893549102, 526 -0.8694786750173527, 527 -0.8589789084007133, 528 -0.8481048644991847, 529 -0.8368612813885015, 530 -0.8252530581614230, 531 -0.8132852527930605, 532 -0.8009630799369827, 533 -0.7882919086530552, 534 -0.7752772600680049, 535 -0.7619248049697269, 536 -0.7482403613363824, 537 -0.7342298918013638, 538 -0.7198995010552305, 539 -0.7052554331857488, 540 -0.6903040689571928, 541 -0.6750519230300931, 542 -0.6595056411226444, 543 -0.6436719971150083, 544 -0.6275578900977726, 545 -0.6111703413658551, 546 -0.5945164913591590, 547 -0.5776035965513142, 548 -0.5604390262878617, 549 -0.5430302595752546, 550 -0.5253848818220803, 551 -0.5075105815339176, 552 -0.4894151469632753, 553 -0.4711064627160663, 554 -0.4525925063160997, 555 -0.4338813447290861, 556 -0.4149811308476706, 557 -0.3959000999390257, 558 -0.3766465660565522, 559 -0.3572289184172501, 560 -0.3376556177463400, 561 -0.3179351925907259, 562 -0.2980762356029071, 563 -0.2780873997969574, 564 -0.2579773947782034, 565 -0.2377549829482451, 566 -0.2174289756869712, 567 -0.1970082295132342, 568 -0.1765016422258567, 569 -0.1559181490266516, 570 -0.1352667186271445, 571 -0.1145563493406956, 572 -0.0937960651617229, 573 -0.0729949118337358, 574 -0.0521619529078925, 575 -0.0313062657937972, 576 -0.0104369378042598, 577 0.0104369378042598, 578 0.0313062657937972, 579 0.0521619529078925, 580 0.0729949118337358, 581 0.0937960651617229, 582 0.1145563493406956, 583 0.1352667186271445, 584 0.1559181490266516, 585 0.1765016422258567, 586 0.1970082295132342, 587 0.2174289756869712, 588 0.2377549829482451, 589 0.2579773947782034, 590 0.2780873997969574, 591 0.2980762356029071, 592 0.3179351925907259, 593 0.3376556177463400, 594 0.3572289184172501, 595 0.3766465660565522, 596 0.3959000999390257, 597 0.4149811308476706, 598 0.4338813447290861, 599 0.4525925063160997, 600 0.4711064627160663, 601 0.4894151469632753, 602 0.5075105815339176, 603 0.5253848818220803, 604 0.5430302595752546, 605 0.5604390262878617, 606 0.5776035965513142, 607 0.5945164913591590, 608 0.6111703413658551, 609 0.6275578900977726, 610 0.6436719971150083, 611 0.6595056411226444, 612 0.6750519230300931, 613 0.6903040689571928, 614 0.7052554331857488, 615 0.7198995010552305, 616 0.7342298918013638, 617 0.7482403613363824, 618 0.7619248049697269, 619 0.7752772600680049, 620 0.7882919086530552, 621 0.8009630799369827, 622 0.8132852527930605, 623 0.8252530581614230, 624 0.8368612813885015, 625 0.8481048644991847, 626 0.8589789084007133, 627 0.8694786750173527, 628 0.8795995893549102, 629 0.8893372414942055, 630 0.8986873885126239, 631 0.9076459563329236, 632 0.9162090414984952, 633 0.9243729128743136, 634 0.9321340132728527, 635 0.9394889610042837, 636 0.9464345513503147, 637 0.9529677579610971, 638 0.9590857341746905, 639 0.9647858142586956, 640 0.9700655145738374, 641 0.9749225346595943, 642 0.9793547582425894, 643 0.9833602541697529, 644 0.9869372772712794, 645 0.9900842691660192, 646 0.9927998590434373, 647 0.9950828645255290, 648 0.9969322929775997, 649 0.9983473449340834, 650 0.9993274305065947, 651 0.9998723404457334 652 ]) 653 654 Gauss150Wt = np.array([ 655 0.0003276086705538, 656 0.0007624720924706, 657 0.0011976474864367, 658 0.0016323569986067, 659 0.0020663664924131, 660 0.0024994789888943, 661 0.0029315036836558, 662 0.0033622516236779, 663 0.0037915348363451, 664 0.0042191661429919, 665 0.0046449591497966, 666 0.0050687282939456, 667 0.0054902889094487, 668 0.0059094573005900, 669 0.0063260508184704, 670 0.0067398879387430, 671 0.0071507883396855, 672 0.0075585729801782, 673 0.0079630641773633, 674 0.0083640856838475, 675 0.0087614627643580, 676 0.0091550222717888, 677 0.0095445927225849, 678 0.0099300043714212, 679 0.0103110892851360, 680 0.0106876814158841, 681 0.0110596166734735, 682 0.0114267329968529, 683 0.0117888704247183, 684 0.0121458711652067, 685 0.0124975796646449, 686 0.0128438426753249, 687 0.0131845093222756, 688 0.0135194311690004, 689 0.0138484622795371, 690 0.0141714592928592, 691 0.0144882814685445, 692 0.0147987907597169, 693 0.0151028518701744, 694 0.0154003323133401, 695 0.0156911024699895, 696 0.0159750356447283, 697 0.0162520081211971, 698 0.0165218992159766, 699 0.0167845913311726, 700 0.0170399700056559, 701 0.0172879239649355, 702 0.0175283451696437, 703 0.0177611288626114, 704 0.0179861736145128, 705 0.0182033813680609, 706 0.0184126574807331, 707 0.0186139107660094, 708 0.0188070535331042, 709 0.0189920016251754, 710 0.0191686744559934, 711 0.0193369950450545, 712 0.0194968900511231, 713 0.0196482898041878, 714 0.0197911283358190, 715 0.0199253434079123, 716 0.0200508765398072, 717 0.0201676730337687, 718 0.0202756819988200, 719 0.0203748563729175, 720 0.0204651529434560, 721 0.0205465323660984, 722 0.0206189591819181, 723 0.0206824018328499, 724 0.0207368326754401, 725 0.0207822279928917, 726 0.0208185680053983, 727 0.0208458368787627, 728 0.0208640227312962, 729 0.0208731176389954, 730 0.0208731176389954, 731 0.0208640227312962, 732 0.0208458368787627, 733 0.0208185680053983, 734 0.0207822279928917, 735 0.0207368326754401, 736 0.0206824018328499, 737 0.0206189591819181, 738 0.0205465323660984, 739 0.0204651529434560, 740 0.0203748563729175, 741 0.0202756819988200, 742 0.0201676730337687, 743 0.0200508765398072, 744 0.0199253434079123, 745 0.0197911283358190, 746 0.0196482898041878, 747 0.0194968900511231, 748 0.0193369950450545, 749 0.0191686744559934, 750 0.0189920016251754, 751 0.0188070535331042, 752 0.0186139107660094, 753 0.0184126574807331, 754 0.0182033813680609, 755 0.0179861736145128, 756 0.0177611288626114, 757 0.0175283451696437, 758 0.0172879239649355, 759 0.0170399700056559, 760 0.0167845913311726, 761 0.0165218992159766, 762 0.0162520081211971, 763 0.0159750356447283, 764 0.0156911024699895, 765 0.0154003323133401, 766 0.0151028518701744, 767 0.0147987907597169, 768 0.0144882814685445, 769 0.0141714592928592, 770 0.0138484622795371, 771 0.0135194311690004, 772 0.0131845093222756, 773 0.0128438426753249, 774 0.0124975796646449, 775 0.0121458711652067, 776 0.0117888704247183, 777 0.0114267329968529, 778 0.0110596166734735, 779 0.0106876814158841, 780 0.0103110892851360, 781 0.0099300043714212, 782 0.0095445927225849, 783 0.0091550222717888, 784 0.0087614627643580, 785 0.0083640856838475, 786 0.0079630641773633, 787 0.0075585729801782, 788 0.0071507883396855, 789 0.0067398879387430, 790 0.0063260508184704, 791 0.0059094573005900, 792 0.0054902889094487, 793 0.0050687282939456, 794 0.0046449591497966, 795 0.0042191661429919, 796 0.0037915348363451, 797 0.0033622516236779, 798 0.0029315036836558, 799 0.0024994789888943, 800 0.0020663664924131, 801 0.0016323569986067, 802 0.0011976474864367, 803 0.0007624720924706, 804 0.0003276086705538 805 ]) 299 class Gauss: 300 def __init__(self, w, z): 301 self.n = len(w) 302 self.w = w 303 self.z = z 304 305 gauss20 = Gauss( 306 w=np.array([ 307 .0176140071391521, 308 .0406014298003869, 309 .0626720483341091, 310 .0832767415767047, 311 .10193011981724, 312 .118194531961518, 313 .131688638449177, 314 .142096109318382, 315 .149172986472604, 316 .152753387130726, 317 .152753387130726, 318 .149172986472604, 319 .142096109318382, 320 .131688638449177, 321 .118194531961518, 322 .10193011981724, 323 .0832767415767047, 324 .0626720483341091, 325 .0406014298003869, 326 .0176140071391521 327 ]), 328 z=np.array([ 329 -.993128599185095, 330 -.963971927277914, 331 -.912234428251326, 332 -.839116971822219, 333 -.746331906460151, 334 -.636053680726515, 335 -.510867001950827, 336 -.37370608871542, 337 -.227785851141645, 338 -.076526521133497, 339 .0765265211334973, 340 .227785851141645, 341 .37370608871542, 342 .510867001950827, 343 .636053680726515, 344 .746331906460151, 345 .839116971822219, 346 .912234428251326, 347 .963971927277914, 348 .993128599185095 349 ]) 350 ) 351 352 gauss76 = Gauss( 353 w=np.array([ 354 .00126779163408536, #0 355 .00294910295364247, 356 .00462793522803742, 357 .00629918049732845, 358 .00795984747723973, 359 .00960710541471375, 360 .0112381685696677, 361 .0128502838475101, 362 .0144407317482767, 363 .0160068299122486, 364 .0175459372914742, #10 365 .0190554584671906, 366 .020532847967908, 367 .0219756145344162, 368 .0233813253070112, 369 .0247476099206597, 370 .026072164497986, 371 .0273527555318275, 372 .028587223650054, 373 .029773487255905, 374 .0309095460374916, #20 375 .0319934843404216, 376 .0330234743977917, 377 .0339977794120564, 378 .0349147564835508, 379 .0357728593807139, 380 .0365706411473296, 381 .0373067565423816, 382 .0379799643084053, 383 .0385891292645067, 384 .0391332242205184, #30 385 .0396113317090621, 386 .0400226455325968, 387 .040366472122844, 388 .0406422317102947, 389 .0408494593018285, 390 .040987805464794, 391 .0410570369162294, 392 .0410570369162294, 393 .040987805464794, 394 .0408494593018285, #40 395 .0406422317102947, 396 .040366472122844, 397 .0400226455325968, 398 .0396113317090621, 399 .0391332242205184, 400 .0385891292645067, 401 .0379799643084053, 402 .0373067565423816, 403 .0365706411473296, 404 .0357728593807139, #50 405 .0349147564835508, 406 .0339977794120564, 407 .0330234743977917, 408 .0319934843404216, 409 .0309095460374916, 410 .029773487255905, 411 .028587223650054, 412 .0273527555318275, 413 .026072164497986, 414 .0247476099206597, #60 415 .0233813253070112, 416 .0219756145344162, 417 .020532847967908, 418 .0190554584671906, 419 .0175459372914742, 420 .0160068299122486, 421 .0144407317482767, 422 .0128502838475101, 423 .0112381685696677, 424 .00960710541471375, #70 425 .00795984747723973, 426 .00629918049732845, 427 .00462793522803742, 428 .00294910295364247, 429 .00126779163408536 #75 (indexed from 0) 430 ]), 431 z=np.array([ 432 -.999505948362153, #0 433 -.997397786355355, 434 -.993608772723527, 435 -.988144453359837, 436 -.981013938975656, 437 -.972229228520377, 438 -.961805126758768, 439 -.949759207710896, 440 -.936111781934811, 441 -.92088586125215, 442 -.904107119545567, #10 443 -.885803849292083, 444 -.866006913771982, 445 -.844749694983342, 446 -.822068037328975, 447 -.7980001871612, 448 -.77258672828181, 449 -.74587051350361, 450 -.717896592387704, 451 -.688712135277641, 452 -.658366353758143, #20 453 -.626910417672267, 454 -.594397368836793, 455 -.560882031601237, 456 -.526420920401243, 457 -.491072144462194, 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