ispg-group / aiidalab-ispg

ATMOSPEC: ab initio UV/vis spectroscopy for everyone
MIT License
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Bug report: Application crashed with IndexError #167

Closed danielhollas closed 1 year ago

danielhollas commented 1 year ago

Automated report

This issue was created with the app's automated bug reporting feature. Attached to this issue is the full traceback as well as an environment fingerprint that contains information about the operating system as well as all installed libraries.

Additional comments (optional):

I've tried to load an already finished workflow for CH4.

Attachments

Traceback ```python-traceback ~/apps/aiidalab-ispg/aiidalab_ispg/spectrum_analysis.py in _observe_spectrum_data(self, change) 343 self.reset() 344 return --> 345 self._update_j_plot( 346 plot_type=self.flux_toggle.value, quantumY=self.yield_slider.value 347 ) ~/apps/aiidalab-ispg/aiidalab_ispg/spectrum_analysis.py in _update_j_plot(self, plot_type, quantumY) 393 394 elif plot_type == "HIGH": --> 395 j_values = self.calculation(3, quantum_yield=quantumY) 396 wavelengths = self.flux_data[0] 397 self.plot_line(wavelengths, j_values, label="label") ~/apps/aiidalab-ispg/aiidalab_ispg/spectrum_analysis.py in calculation(self, level, quantum_yield) 468 """ 469 du = level --> 470 interpolated_xsection = self.prepare_for_plot() 471 j_vals = self.prepare_for_plot() * self.flux_data[du] * quantum_yield 472 kernel_size = 3 ~/apps/aiidalab-ispg/aiidalab_ispg/spectrum_analysis.py in prepare_for_plot(self) 487 mol_intensity = np.flip(mol_intensity) 488 wl_max = mol_wlength.max() --> 489 masked_data = self.mask_data(mol_wlength, mol_intensity, 280, np.floor(wl_max)) 490 mol_wlength = masked_data[0] 491 mol_intensity = masked_data[1] ~/apps/aiidalab-ispg/aiidalab_ispg/spectrum_analysis.py in mask_data(self, array_wlength, array_intensities, minimum, maximum) 527 :rtype: tuple 528 """ --> 529 low_cutoff = np.where(np.asarray(array_wlength) > minimum)[0][0] - 1 530 array_wlength = array_wlength[low_cutoff:] 531 array_intensities = array_intensities[low_cutoff:] IndexError: index 0 is out of bounds for axis 0 with size 0 ```
Environment fingerprint
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By submitting this issue I confirm that I am aware that this information can potentially be used to determine what kind of calculation was performed at the time of error.

danielhollas commented 1 year ago

Haven't seen it since, let's hope this is fixed.