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removed trapezoid issue for numpy2
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+9
-182
lines changed

2 files changed

+9
-182
lines changed

docs/worked_examples_diads.py

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This file was deleted.

src/DiadFit/H2O_fitting.py

Lines changed: 9 additions & 7 deletions
Original file line numberDiff line numberDiff line change
@@ -9,8 +9,10 @@
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from dataclasses import dataclass
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from typing import Tuple, Optional
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from DiadFit.importing_data_files import *
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from numpy import trapz
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from scipy.integrate import simpson
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from scipy.integrate import simpson, trapezoid
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## checking
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##
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def extract_xstal_MI_name(*, files, char_xstal, pos_xstal, char_MI, pos_MI,
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prefix=True, str_prefix=" ", file_ext='.txt'):
@@ -872,30 +874,30 @@ def fit_area_for_silicate_region(*, path, filename, Spectra=None,
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ydat_sil=y_corr_sil
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xspace_sil=xdat_sil[1]-xdat_sil[0]
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area_trap = trapz(y_corr_sil, dx=xspace_sil)
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area_trap = trapezoid(y_corr_sil, dx=xspace_sil)
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area_simps = simpson(y_corr_sil, dx=xspace_sil)
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# Just the LW area
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xsil_LW=xdat_sil[(xdat_sil>LW[0]) & (xdat_sil<LW[1])]
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y_corr_sil_LW=y_corr_sil[(xdat_sil>LW[0]) & (xdat_sil<LW[1])]
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xspace_sil_LW=xsil_LW[1]-xsil_LW[0]
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area_trap_LW=trapz(y_corr_sil_LW, dx=xspace_sil_LW)
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area_trap_LW=trapezoid(y_corr_sil_LW, dx=xspace_sil_LW)
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area_simp_LW=simpson(y_corr_sil_LW, dx=xspace_sil_LW)
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# Just the HW area
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xsil_HW=xdat_sil[(xdat_sil>HW[0]) & (xdat_sil<HW[1])]
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y_corr_sil_HW=y_corr_sil[(xdat_sil>HW[0]) & (xdat_sil<HW[1])]
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xspace_sil_HW=xsil_HW[1]-xsil_HW[0]
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area_trap_HW=trapz(y_corr_sil_HW, dx=xspace_sil_HW)
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area_trap_HW=trapezoid(y_corr_sil_HW, dx=xspace_sil_HW)
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area_simp_HW=simpson(y_corr_sil_HW, dx=xspace_sil_HW)
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# MW
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if MW is not None:
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xsil_MW=xdat_sil[(xdat_sil>MW[0]) & (xdat_sil<MW[1])]
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y_corr_sil_MW=y_corr_sil[(xdat_sil>MW[0]) & (xdat_sil<MW[1])]
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xspace_sil_MW=xsil_MW[1]-xsil_MW[0]
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area_trap_MW=trapz(y_corr_sil_MW, dx=xspace_sil_MW)
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area_trap_MW=trapezoid(y_corr_sil_MW, dx=xspace_sil_MW)
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area_simp_MW=simpson(y_corr_sil_MW, dx=xspace_sil_MW)
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@@ -1157,7 +1159,7 @@ def fit_area_for_water_region(*, path, filename, Spectra=None, config1: water_bc
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xspace_water=xdat_water[1]-xdat_water[0]
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area_trap = trapz(y_corr_water, dx=xspace_water)
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area_trap = trapezoid(y_corr_water, dx=xspace_water)
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area_simps = simpson(y_corr_water, dx=xspace_water)
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