BrownRE1991 / OptimusPeak

Source code for program Optimus Peak, a Protein NMR Spectral Peak-Picker for 2 and 3D NMR spectra.
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error on ppm_scale calls #19

Open n-salvi opened 2 months ago

n-salvi commented 2 months ago

Hi, I am getting an error when I run the code, even on the example spectrum:

Traceback (most recent call last): File "ThresholderGuas2.py", line 291, in ppm_dim2 = uc_dim2.ppm_scale() File "/local2/data/anaconda3/envs/optimus/lib/python3.7/site-packages/nmrglue/fileio/fileiobase.py", line 276, in ppm_scale return np.linspace(x0, x1, self._size) File "<__array_function__ internals>", line 6, in linspace File "/local2/data/anaconda3/envs/optimus/lib/python3.7/site-packages/numpy/core/function_base.py", line 120, in linspace num = operator.index(num) TypeError: 'float' object cannot be interpreted as an integer

I did a few tests, and the same error is produced whenever ppm_scale is calle. I don't think it is nmrglue though, as it seems all my other scripts seem to work

Any ideas ?

Thank you,

Nicola

BrownRE1991 commented 2 months ago

I'll take a look. Which operating system are you using, and which file type (.ft2, .pipe, etc)?

n-salvi commented 2 months ago

Thank you for your reply, I tried both ft2 and pipe on Linux. I have a hunch that it might have to do with nmrglue versioning. If you can provide me with the exact library versions you are using, I can see if I can still reproduce the error

BrownRE1991 commented 2 months ago

nmrglue version 0.10 numpy version 1.26.4 scipy version 1.13.1 python 3 version 3.12