gui.components.spectrum

57 """The GUI element for listing loaded spectral data.""" 58

59 - def __init__(self, gui=None, parent=None, box=None, id=None, fn_add=None, proportion=0, button_placement='default', noe_flag=False, relax_fit_flag=False, relax_disp_flag=False):

60 """Build the spectral list GUI element. 61 62 @keyword gui: The main GUI object. 63 @type gui: wx.Frame instance 64 @keyword parent: The parent GUI element that this is to be attached to (the panel object). 65 @type parent: wx object 66 @keyword data: The data storage container. 67 @type data: class instance 68 @keyword box: The vertical box sizer to pack this GUI component into. 69 @type box: wx.BoxSizer instance 70 @keyword id: A unique identification string. This is used to register the update method with the GUI user function observer object. 71 @type id: str 72 @keyword fn_add: The function to execute when clicking on the 'Add' button. 73 @type fn_add: func 74 @keyword proportion: The window proportion parameter. 75 @type proportion: bool 76 @keyword button_placement: Override the button visibility and placement. The value of 'default' will leave the buttons at the default setting. The value of 'top' will place the buttons at the top, 'bottom' will place them at the bottom, and None will turn off the buttons. 77 @type button_placement: str or None 78 @keyword noe_flag: A flag which when True will enable the steady-state NOE portions of the wizard. 79 @type noe_flag: bool 80 @keyword relax_fit_flag: A flag which when True will enable the relaxation curve-fitting portions of the wizard. 81 @type relax_fit_flag: bool 82 @keyword relax_disp_flag: A flag which when True will enable the relaxation dispersion portions of the wizard. 83 @type relax_disp_flag: bool 84 """ 85 86 # Store the arguments. 87 self.fn_add = fn_add 88 self.noe_flag = noe_flag 89 self.relax_fit_flag = relax_fit_flag 90 self.relax_disp_flag = relax_disp_flag 91 92 # Initialise the base class. 93 super(Spectra_list, self).__init__(gui=gui, parent=parent, box=box, id=id, proportion=proportion, button_placement=button_placement)

94 95

96 - def action_relax_disp_cpmg_setup(self, event=None, item=None):

97 """Launch the relax_disp.cpmg_setup user function. 98 99 @keyword event: The wx event. 100 @type event: wx event 101 @keyword item: This is for debugging purposes only, to allow the GUI tests to select items without worrying about OS dependent wxPython bugs. 102 @type item: None or int 103 """ 104 105 # The current selection. 106 if item == None: 107 item = self.element.GetFirstSelected() 108 109 # The spectrum ID. 110 id = gui_to_str(self.element.GetItemText(item)) 111 112 # The current frequency. 113 frq = None 114 frq_flag = False 115 if hasattr(cdp, 'cpmg_frqs') and id in cdp.cpmg_frqs: 116 frq = cdp.cpmg_frqs[id] 117 frq_flag = True 118 119 # The current ncyc_even flag. 120 even = True 121 even_flag = False 122 if hasattr(cdp, 'ncyc_even') and id in cdp.ncyc_even: 123 even = cdp.ncyc_even[id] 124 even_flag = True 125 126 # Launch the dialog. 127 if frq_flag: 128 uf_store['relax_disp.cpmg_setup'](spectrum_id=id, cpmg_frq=frq, ncyc_even=even) 129 else: 130 uf_store['relax_disp.cpmg_setup'](spectrum_id=id, ncyc_even=even)

131 132

133 - def action_relax_disp_exp_type(self, event=None, item=None):

134 """Launch the relax_disp.exp_type user function. 135 136 @keyword event: The wx event. 137 @type event: wx event 138 @keyword item: This is for debugging purposes only, to allow the GUI tests to select items without worrying about OS dependent wxPython bugs. 139 @type item: None or int 140 """ 141 142 # The current selection. 143 if item == None: 144 item = self.element.GetFirstSelected() 145 146 # The spectrum ID. 147 id = gui_to_str(self.element.GetItemText(item)) 148 149 # The current type. 150 exp_type = None 151 if hasattr(cdp, 'exp_type') and id in cdp.exp_type: 152 exp_type = cdp.exp_type[id] 153 154 # Launch the dialog. 155 if exp_type == None: 156 uf_store['relax_disp.exp_type'](spectrum_id=id) 157 else: 158 uf_store['relax_disp.exp_type'](spectrum_id=id, exp_type=exp_type)

159 160

161 - def action_relax_disp_relax_time(self, event=None, item=None):

162 """Launch the relax_disp.relax_time user function. 163 164 @keyword event: The wx event. 165 @type event: wx event 166 @keyword item: This is for debugging purposes only, to allow the GUI tests to select items without worrying about OS dependent wxPython bugs. 167 @type item: None or int 168 """ 169 170 # The current selection. 171 if item == None: 172 item = self.element.GetFirstSelected() 173 174 # The spectrum ID. 175 id = gui_to_str(self.element.GetItemText(item)) 176 177 # The current time. 178 time = None 179 if hasattr(cdp, 'relax_times') and id in cdp.relax_times: 180 time = cdp.relax_times[id] 181 182 # Launch the dialog. 183 if time == None: 184 uf_store['relax_disp.relax_time'](spectrum_id=id) 185 else: 186 uf_store['relax_disp.relax_time'](time=time, spectrum_id=id)

187 188

189 - def action_relax_disp_spin_lock_field(self, event=None, item=None):

190 """Launch the relax_disp.spin_lock_field user function. 191 192 @keyword event: The wx event. 193 @type event: wx event 194 @keyword item: This is for debugging purposes only, to allow the GUI tests to select items without worrying about OS dependent wxPython bugs. 195 @type item: None or int 196 """ 197 198 # The current selection. 199 if item == None: 200 item = self.element.GetFirstSelected() 201 202 # The spectrum ID. 203 id = gui_to_str(self.element.GetItemText(item)) 204 205 # The spin-lock. 206 nu1 = None 207 nu1_flag = False 208 if hasattr(cdp, 'spin_lock_nu1') and id in cdp.spin_lock_nu1: 209 nu1 = cdp.spin_lock_nu1[id] 210 nu1_flag = True 211 212 # Launch the dialog. 213 if nu1_flag: 214 uf_store['relax_disp.spin_lock_field'](field=nu1, spectrum_id=id) 215 else: 216 uf_store['relax_disp.spin_lock_field'](spectrum_id=id)

217 218

219 - def action_relax_disp_spin_lock_offset(self, event=None, item=None):

220 """Launch the relax_disp.spin_lock_offset user function. 221 222 @keyword event: The wx event. 223 @type event: wx event 224 @keyword item: This is for debugging purposes only, to allow the GUI tests to select items without worrying about OS dependent wxPython bugs. 225 @type item: None or int 226 """ 227 228 # The current selection. 229 if item == None: 230 item = self.element.GetFirstSelected() 231 232 # The spectrum ID. 233 id = gui_to_str(self.element.GetItemText(item)) 234 235 # The offset. 236 offset = None 237 offset_flag = False 238 if hasattr(cdp, 'spin_lock_offset') and id in cdp.spin_lock_offset: 239 offset = cdp.spin_lock_offset[id] 240 offset_flag = True 241 242 # Launch the dialog. 243 if offset_flag: 244 uf_store['relax_disp.spin_lock_offset'](offset=offset, spectrum_id=id) 245 else: 246 uf_store['relax_disp.spin_lock_offset'](spectrum_id=id)

247 248

249 - def action_relax_fit_relax_time(self, event=None, item=None):

250 """Launch the relax_fit.relax_time user function. 251 252 @keyword event: The wx event. 253 @type event: wx event 254 @keyword item: This is for debugging purposes only, to allow the GUI tests to select items without worrying about OS dependent wxPython bugs. 255 @type item: None or int 256 """ 257 258 # The current selection. 259 if item == None: 260 item = self.element.GetFirstSelected() 261 262 # The spectrum ID. 263 id = gui_to_str(self.element.GetItemText(item)) 264 265 # The current time. 266 time = None 267 if hasattr(cdp, 'relax_times') and id in cdp.relax_times: 268 time = cdp.relax_times[id] 269 270 # Launch the dialog. 271 if time == None: 272 uf_store['relax_fit.relax_time'](spectrum_id=id) 273 else: 274 uf_store['relax_fit.relax_time'](time=time, spectrum_id=id)

275 276

277 - def action_spectrometer_frq(self, event=None, item=None):

278 """Launch the spectrometer.frequency user function. 279 280 @keyword event: The wx event. 281 @type event: wx event 282 @keyword item: This is for debugging purposes only, to allow the GUI tests to select items without worrying about OS dependent wxPython bugs. 283 @type item: None or int 284 """ 285 286 # The current selection. 287 if item == None: 288 item = self.element.GetFirstSelected() 289 290 # The spectrum ID. 291 id = gui_to_str(self.element.GetItemText(item)) 292 293 # The current frequency. 294 frq = None 295 if hasattr(cdp, 'spectrometer_frq') and id in cdp.spectrometer_frq: 296 frq = cdp.spectrometer_frq[id] 297 298 # Launch the dialog. 299 if frq == None: 300 uf_store['spectrometer.frequency'](id=id) 301 else: 302 uf_store['spectrometer.frequency'](frq=frq, id=id)

303 304

305 - def action_spectrum_baseplane_rmsd(self, event):

306 """Launch the spectrum.baseplane_rmsd user function. 307 308 @param event: The wx event. 309 @type event: wx event 310 """ 311 312 # The current selection. 313 item = self.element.GetFirstSelected() 314 315 # The spectrum ID. 316 id = gui_to_str(self.element.GetItemText(item)) 317 318 # Launch the dialog. 319 uf_store['spectrum.baseplane_rmsd'](spectrum_id=id)

320 321

322 - def action_spectrum_delete(self, event):

323 """Launch the spectrum.delete user function. 324 325 @param event: The wx event. 326 @type event: wx event 327 """ 328 329 # The current selection. 330 item = self.element.GetFirstSelected() 331 332 # No selection. 333 if item == -1: 334 id = None 335 336 # Selected item. 337 else: 338 # The spectrum ID. 339 id = gui_to_str(self.element.GetItemText(item)) 340 341 # Launch the dialog. 342 uf_store['spectrum.delete'](spectrum_id=id)

343 344

345 - def action_spectrum_error_analysis(self, event):

346 """Launch the spectrum.error_analysis user function. 347 348 @param event: The wx event. 349 @type event: wx event 350 """ 351 352 # The first item selected. 353 item = self.element.GetFirstSelected() 354 355 # Loop over the additional selections. 356 ids = [] 357 while True: 358 # No selection. 359 if item == -1: 360 break 361 362 # Add the ID string to the list. 363 ids.append(gui_to_str(self.element.GetItemText(item))) 364 365 # Get the next selected item. 366 item = self.element.GetNextSelected(item) 367 368 # No selected items. 369 if not len(ids): 370 ids = None 371 372 # Launch the dialog. 373 uf_store['spectrum.error_analysis'](subset=ids, wx_wizard_modal=True) 374 375 # Display the relax controller, and go to the end of the log window. 376 self.gui.show_controller(None) 377 self.gui.controller.log_panel.on_goto_end(None)

378 379

380 - def action_spectrum_integration_points(self, event):

381 """Launch the spectrum.integration_points user function. 382 383 @param event: The wx event. 384 @type event: wx event 385 """ 386 387 # The current selection. 388 item = self.element.GetFirstSelected() 389 390 # The spectrum ID. 391 id = gui_to_str(self.element.GetItemText(item)) 392 393 # Launch the dialog. 394 uf_store['spectrum.integration_points'](spectrum_id=id)

395 396

397 - def action_spectrum_replicated(self, event=None, item=None):

398 """Launch the spectrum.replicated user function. 399 400 @keyword event: The wx event. 401 @type event: wx event 402 @keyword item: This is for debugging purposes only, to allow the GUI tests to select items without worrying about OS dependent wxPython bugs. 403 @type item: None or int 404 """ 405 406 # No elements in the list. 407 if not self.element.GetItemCount(): 408 return 409 410 # The current selection. 411 if item == None: 412 item = self.element.GetFirstSelected() 413 414 # The spectrum ID. 415 id = gui_to_str(self.element.GetItemText(item)) 416 417 # The current replicates. 418 replicates = replicated_ids(id) 419 420 # Launch the dialog. 421 if replicates == []: 422 uf_store['spectrum.replicated'](spectrum_ids=id) 423 else: 424 uf_store['spectrum.replicated'](spectrum_ids=replicates)

425 426

427 - def add_disp_point(self, index):

428 """Add the dispersion point info to the element. 429 430 This is either the CPMG pulse frequency or the spin-lock field strength. Both share the same column. 431 432 @param index: The column index for the data. 433 @type index: int 434 @return: True if the data exists, False otherwise. 435 @rtype: bool 436 """ 437 438 # Append a column. 439 self.element.InsertColumn(index, u("\u03BDCPMG (Hz) or Spin-lock \u03BD1 (Hz)")) 440 441 # No data. 442 if not hasattr(cdp, 'spectrum_ids'): 443 return True 444 445 # Set the values. 446 for i in range(len(cdp.spectrum_ids)): 447 # Set the CPMG frequency. 448 if hasattr(cdp, 'cpmg_frqs') and cdp.spectrum_ids[i] in cdp.cpmg_frqs: 449 self.element.SetStringItem(i, index, float_to_gui(cdp.cpmg_frqs[cdp.spectrum_ids[i]])) 450 451 # Set the spin-lock field strength. 452 if hasattr(cdp, 'spin_lock_nu1') and cdp.spectrum_ids[i] in cdp.spin_lock_nu1: 453 self.element.SetStringItem(i, index, float_to_gui(cdp.spin_lock_nu1[cdp.spectrum_ids[i]])) 454 455 # Successful. 456 return True

457 458

459 - def add_exp_type(self, index):

460 """Add the experiment type info to the element. 461 462 @param index: The column index for the data. 463 @type index: int 464 @return: True if the data exists, False otherwise. 465 @rtype: bool 466 """ 467 468 # Append a column. 469 self.element.InsertColumn(index, u("Experiment type")) 470 471 # No data. 472 if not hasattr(cdp, 'spectrum_ids') or not hasattr(cdp, 'exp_type'): 473 return True 474 475 # Set the values. 476 for i in range(len(cdp.spectrum_ids)): 477 # No value. 478 if cdp.spectrum_ids[i] not in cdp.exp_type: 479 continue 480 481 # Set the value. 482 self.element.SetStringItem(i, index, float_to_gui(cdp.exp_type[cdp.spectrum_ids[i]])) 483 484 # Successful. 485 return True

486 487

488 - def add_frqs(self, index):

489 """Add the spectrometer frequency info to the element. 490 491 @param index: The column index for the data. 492 @type index: int 493 @return: True if the frequency data exists, False otherwise. 494 @rtype: bool 495 """ 496 497 # Append a column. 498 self.element.InsertColumn(index, u("\u03C9H (MHz)")) 499 500 # No data. 501 if not hasattr(cdp, 'spectrum_ids'): 502 return True 503 if not hasattr(cdp, 'spectrometer_frq') or not len(cdp.spectrometer_frq): 504 return True 505 506 # Set the values. 507 for i in range(len(cdp.spectrum_ids)): 508 # No value. 509 if cdp.spectrum_ids[i] not in cdp.spectrometer_frq: 510 continue 511 512 # Set the value (in MHz). 513 self.element.SetStringItem(i, index, float_to_gui(cdp.spectrometer_frq[cdp.spectrum_ids[i]]/1e6)) 514 515 # Successful. 516 return True

517 518

519 - def add_offset(self, index):

520 """Add the offset info to the element. 521 522 @param index: The column index for the data. 523 @type index: int 524 @return: True if the data exists, False otherwise. 525 @rtype: bool 526 """ 527 528 # Append a column. 529 self.element.InsertColumn(index, u("Offset \u03C9_rf (ppm)")) 530 531 # No data. 532 if not hasattr(cdp, 'spectrum_ids'): 533 return True 534 535 # Set the values. 536 for i in range(len(cdp.spectrum_ids)): 537 if hasattr(cdp, 'spin_lock_offset') and cdp.spectrum_ids[i] in cdp.spin_lock_offset: 538 self.element.SetStringItem(i, index, float_to_gui(cdp.spin_lock_offset[cdp.spectrum_ids[i]])) 539 540 # Successful. 541 return True

542 543

544 - def generate_popup_menu(self, id=None):

545 """Create the popup menu. 546 547 @keyword id: The spectrum ID string for the row that was clicked on. 548 @type id: str 549 @return: The popup menu. 550 @rtype: list of dict of wxID, str, str, method 551 """ 552 553 # The right click popup menu. 554 popup_menus = [ 555 { 556 'id': MENU_SPECTRUM_BASEPLANE_RMSD, 557 'text': "Set the &baseplane RMSD", 558 'icon': fetch_icon(uf_info.get_uf('spectrum.baseplane_rmsd').gui_icon), 559 'method': self.action_spectrum_baseplane_rmsd 560 }, { 561 'id': MENU_SPECTRUM_DELETE, 562 'text': "&Delete the peak intensities", 563 'icon': fetch_icon(uf_info.get_uf('spectrum.delete').gui_icon), 564 'method': self.action_spectrum_delete 565 }, { 566 'id': MENU_SPECTRUM_INTEGRATION_POINTS, 567 'text': "Set the number of integration &points", 568 'icon': fetch_icon(uf_info.get_uf('spectrum.integration_points').gui_icon), 569 'method': self.action_spectrum_integration_points 570 }, { 571 'id': MENU_SPECTRUM_REPLICATED, 572 'text': "Specify which spectra are &replicated", 573 'icon': fetch_icon(uf_info.get_uf('spectrum.replicated').gui_icon), 574 'method': self.action_spectrum_replicated 575 } 576 ] 577 if self.relax_disp_flag: 578 popup_menus.append({ 579 'id': MENU_RELAX_DISP_EXP_TYPE, 580 'text': "Set the &experiment type", 581 'icon': None, 582 'method': self.action_relax_disp_exp_type 583 }) 584 if self.relax_fit_flag: 585 popup_menus.append({ 586 'id': MENU_RELAX_FIT_RELAX_TIME, 587 'text': "Set the relaxation &time", 588 'icon': fetch_icon(uf_info.get_uf('relax_fit.relax_time').gui_icon), 589 'method': self.action_relax_fit_relax_time 590 }) 591 if self.relax_disp_flag: 592 popup_menus.append({ 593 'id': MENU_RELAX_DISP_RELAX_TIME, 594 'text': "Set the relaxation &time", 595 'icon': fetch_icon(uf_info.get_uf('relax_disp.relax_time').gui_icon), 596 'method': self.action_relax_disp_relax_time 597 }) 598 popup_menus.append({ 599 'id': MENU_SPECTROMETER_FRQ, 600 'text': "Set the spectrometer &frequency", 601 'icon': fetch_icon("relax.spectrometer"), 602 'method': self.action_spectrometer_frq 603 }) 604 if self.relax_disp_flag and is_r1rho_exp_type(id): 605 popup_menus.append({ 606 'id': MENU_RELAX_DISP_SPIN_LOCK_FIELD, 607 'text': u("Set the spin-&lock field strength \u03BD1"), 608 'icon': fetch_icon("relax.relax_disp"), 609 'method': self.action_relax_disp_spin_lock_field 610 }) 611 popup_menus.append({ 612 'id': MENU_RELAX_DISP_SPIN_LOCK_OFFSET, 613 'text': u("Set the spin-&lock offset \u03C9_rf"), 614 'icon': fetch_icon("relax.relax_disp"), 615 'method': self.action_relax_disp_spin_lock_offset 616 }) 617 if self.relax_disp_flag and is_cpmg_exp_type(id): 618 popup_menus.append({ 619 'id': MENU_RELAX_DISP_CPMG_SETUP, 620 'text': u("Set the &CPMG pulse sequence information"), 621 'icon': fetch_icon("relax.relax_disp"), 622 'method': self.action_relax_disp_cpmg_setup 623 }) 624 625 # Return the menu. 626 return popup_menus

627 628

629 - def noe_spectrum_type(self, index):

630 """Add the NOE spectral type info to the element. 631 632 @param index: The column index for the data. 633 @type index: int 634 @return: True if a spectrum type exists, False otherwise. 635 @rtype: bool 636 """ 637 638 # No type info. 639 if not hasattr(cdp, 'spectrum_type') or not len(cdp.spectrum_type): 640 return False 641 642 # Append a column. 643 self.element.InsertColumn(index, str_to_gui("NOE spectrum type")) 644 645 # Translation table. 646 table = { 647 'sat': 'Saturated', 648 'ref': 'Reference' 649 } 650 651 # No data. 652 if not hasattr(cdp, 'spectrum_ids'): 653 return True 654 655 # Set the values. 656 for i in range(len(cdp.spectrum_ids)): 657 # No value. 658 if cdp.spectrum_ids[i] not in cdp.spectrum_type: 659 continue 660 661 # Set the value. 662 self.element.SetStringItem(i, index, str_to_gui(table[cdp.spectrum_type[cdp.spectrum_ids[i]]])) 663 664 # Successful. 665 return True

666 667

668 - def relax_times(self, index):

669 """Add the relaxation delay time info to the element. 670 671 @param index: The column index for the data. 672 @type index: int 673 @return: True if relaxation times exist, False otherwise. 674 @rtype: bool 675 """ 676 677 # No type info. 678 if not hasattr(cdp, 'relax_times') or not len(cdp.relax_times): 679 return False 680 681 # Append a column. 682 self.element.InsertColumn(index, str_to_gui("Delay times (s)")) 683 684 # No data. 685 if not hasattr(cdp, 'spectrum_ids'): 686 return True 687 688 # Set the values. 689 for i in range(len(cdp.spectrum_ids)): 690 # No value. 691 if cdp.spectrum_ids[i] not in cdp.relax_times: 692 continue 693 694 # Set the value. 695 self.element.SetStringItem(i, index, float_to_gui(cdp.relax_times[cdp.spectrum_ids[i]])) 696 697 # Successful. 698 return True

699 700

701 - def replicates(self, index):

702 """Add the replicated spectra info to the element. 703 704 @param index: The column index for the data. 705 @type index: int 706 @return: True if relaxation times exist, False otherwise. 707 @rtype: bool 708 """ 709 710 # No type info. 711 if not hasattr(cdp, 'replicates') or not len(cdp.replicates): 712 return False 713 714 # Replicated spectra. 715 repl = replicated_flags() 716 717 # Append a column. 718 self.element.InsertColumn(index, str_to_gui("Replicate IDs")) 719 720 # No data. 721 if not hasattr(cdp, 'spectrum_ids'): 722 return True 723 724 # Set the values. 725 for i in range(len(cdp.spectrum_ids)): 726 # No replicates. 727 if not repl[cdp.spectrum_ids[i]]: 728 continue 729 730 # The replicated spectra. 731 id_list = replicated_ids(cdp.spectrum_ids[i]) 732 733 # Convert to a string. 734 text = '' 735 for j in range(len(id_list)): 736 # Add the id. 737 text = "%s%s" % (text, id_list[j]) 738 739 # Separator. 740 if j < len(id_list)-1: 741 text = "%s, " % text 742 743 # Set the value. 744 self.element.SetStringItem(i, index, str_to_gui(text)) 745 746 # Successful. 747 return True

748 749

750 - def setup(self):

751 """Override the base variables.""" 752 753 # GUI variables. 754 self.title = "Spectra list" 755 self.observer_base_name = "spectra list" 756 757 # The column titles. 758 self.columns = [] 759 760 # Button set up. 761 self.button_placement = 'top' 762 self.button_size = (170, 40) 763 self.button_info = [ 764 { 765 'object': 'button_add', 766 'label': ' Add', 767 'icon': fetch_icon('oxygen.actions.list-add-relax-blue', "22x22"), 768 'method': self.fn_add, 769 'tooltip': "Read a spectral data file." 770 }, { 771 'object': 'button_delete', 772 'label': ' Delete', 773 'icon': fetch_icon('oxygen.actions.list-remove', "22x22"), 774 'method': self.action_spectrum_delete, 775 'tooltip': "Delete loaded relaxation data from the relax data store." 776 }, { 777 'object': 'button_error_analysis', 778 'label': ' Error analysis', 779 'icon': fetch_icon('oxygen.categories.applications-education', "22x22"), 780 'method': self.action_spectrum_error_analysis, 781 'tooltip': "Perform a peak intensity error analysis on the currently loaded data or data subsets. Select a subset of the spectra below to perform the error analysis only on this subset." 782 } 783 ]

784 785

786 - def update_data(self):

787 """Method called from self.build_element_safe() to update the list data.""" 788 789 # Initialise the column index for the data. 790 index = 1 791 792 # Delete the rows and columns. 793 self.element.DeleteAllItems() 794 for i in reversed(range(self.element.GetColumnCount())): 795 self.element.DeleteColumn(i) 796 797 # Initialise to a single column. 798 self.element.InsertColumn(0, str_to_gui("Spectrum ID")) 799 800 # Expand the number of rows to match the number of spectrum IDs, and add the IDs. 801 n = 0 802 if hasattr(cdp, 'spectrum_ids'): 803 # The number of IDs. 804 n = len(cdp.spectrum_ids) 805 806 # Set the IDs. 807 for i in range(n): 808 self.element.InsertStringItem(i, str_to_gui(cdp.spectrum_ids[i])) 809 810 # The NOE spectrum type. 811 if self.noe_spectrum_type(index): 812 index += 1 813 814 # The experiment type. 815 if self.relax_disp_flag and self.add_exp_type(index): 816 index += 1 817 818 # The spectrometer frequency. 819 if self.relax_disp_flag and self.add_frqs(index): 820 index += 1 821 822 # The spin-lock field strength or CPMG pulse frequency. 823 if self.relax_disp_flag and self.add_disp_point(index): 824 index += 1 825 826 # The offset. 827 if self.relax_disp_flag and self.add_offset(index): 828 index += 1 829 830 # The relaxation times. 831 if (self.relax_fit_flag or self.relax_disp_flag) and self.relax_times(index): 832 index += 1 833 834 # The replicated spectra. 835 if self.replicates(index): 836 index += 1

Source Code for Module gui.components.spectrum