Types

Main types used in the package.

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source

SpectraData

 SpectraData (wavenumbers:numpy.ndarray, spectra:numpy.ndarray,
              measurement_type:str, sample_ids:numpy.ndarray)

from dataclasses import dataclass
import numpy as np

@dataclass
class SpectraData:
    wavenumbers: np.ndarray
    spectra: np.ndarray
    measurement_type: str
    sample_ids: np.ndarray  # Adding sample IDs to maintain relationships
    
    def __str__(self):
        """Pretty print the SpectraData object"""
        sections = [
            ("SpectraData attributes", f"Available attributes: {', '.join(vars(self).keys())}"),
            
            ("Wavenumbers", 
             f"{np.array2string(self.wavenumbers[:10], precision=2, separator=', ')}\n"
             f"Shape: {self.wavenumbers.shape}"),
            
            ("Spectra", 
             f"{np.array2string(self.spectra[:5,:5], precision=4, separator=', ')}\n"
             f"Shape: {self.spectra.shape}"),
            
            ("Measurement type (Reflectance or Absorbance)", self.measurement_type),
            
            ("Sample IDs", 
             f"{np.array2string(self.sample_ids[:10], separator=', ')}\n"
             f"Total samples: {len(self.sample_ids)}")
        ]
        
        return '\n\n'.join(f"{title}:\n{'-'*len(title)}\n{content}" 
                          for title, content in sections)