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fix: Agilent Gen5 - fix spectrum data cube label #1014

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Merged
nathan-stender merged 1 commit into from
Jun 17, 2025
Merged

fix: Agilent Gen5 - fix spectrum data cube label #1014

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17 changes: 16 additions & 1 deletion src/allotropy/parsers/agilent_gen5/agilent_gen5_structure.py
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Original file line number Diff line number Diff line change
Expand Up @@ -1182,8 +1182,23 @@ def create_spectrum_results(
excitation_bandwidth_setting = 20.0

for well_position, well_absorbance_data in wells_data.items():
if measurement_type == MeasurementType.ULTRAVIOLET_ABSORBANCE_CUBE_SPECTRUM:
label = "absorbance-spectrum"
elif measurement_type in (
MeasurementType.EMISSION_FLUORESCENCE_CUBE_SPECTRUM,
MeasurementType.EXCITATION_FLUORESCENCE_CUBE_SPECTRUM,
):
label = "fluorescence-spectrum"
elif measurement_type in (
MeasurementType.EMISSION_LUMINESCENCE_CUBE_SPECTRUM,
MeasurementType.EXCITATION_LUMINESCENCE_CUBE_SPECTRUM,
):
label = "luminescence-spectrum"
else:
label = "spectrum"

spectrum_data_cube = DataCube(
label="absorbance-spectrum",
label=label,
structure_dimensions=[
DataCubeComponent(
concept="wavelength",
Expand Down
4 changes: 2 additions & 2 deletions tests/parsers/agilent_gen5/testdata/fluorescence/spectrum_emission_data.json
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Original file line number Diff line number Diff line change
Expand Up @@ -52,7 +52,7 @@
]
},
"fluorescence emission spectrum data cube": {
"label": "absorbance-spectrum",
"label": "fluorescence-spectrum",
"cube-structure": {
"dimensions": [
{
Expand Down Expand Up @@ -117,7 +117,7 @@
"UNC path": "tests/parsers/agilent_gen5/testdata/fluorescence/spectrum_emission_data.txt",
"file name": "spectrum_emission_data.txt",
"ASM converter name": "allotropy_agilent_gen5",
"ASM converter version": "0.1.90",
"ASM converter version": "0.1.93",
"software name": "Gen5",
"software version": "3.12.08"
},
Expand Down
4 changes: 2 additions & 2 deletions tests/parsers/agilent_gen5/testdata/fluorescence/spectrum_excitation_data.json
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Original file line number Diff line number Diff line change
Expand Up @@ -52,7 +52,7 @@
]
},
"fluorescence excitation spectrum data cube": {
"label": "absorbance-spectrum",
"label": "fluorescence-spectrum",
"cube-structure": {
"dimensions": [
{
Expand Down Expand Up @@ -116,7 +116,7 @@
"UNC path": "tests/parsers/agilent_gen5/testdata/fluorescence/spectrum_excitation_data.txt",
"file name": "spectrum_excitation_data.txt",
"ASM converter name": "allotropy_agilent_gen5",
"ASM converter version": "0.1.90",
"ASM converter version": "0.1.93",
"software name": "Gen5",
"software version": "3.12.08"
},
Expand Down
4 changes: 2 additions & 2 deletions tests/parsers/agilent_gen5/testdata/luminescence/spectral_scan.json
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Expand Up @@ -44,7 +44,7 @@
]
},
"fluorescence emission spectrum data cube": {
"label": "absorbance-spectrum",
"label": "luminescence-spectrum",
"cube-structure": {
"dimensions": [
{
Expand Down Expand Up @@ -88,7 +88,7 @@
"UNC path": "tests/parsers/agilent_gen5/testdata/luminescence/spectral_scan.txt",
"file name": "spectral_scan.txt",
"ASM converter name": "allotropy_agilent_gen5",
"ASM converter version": "0.1.90",
"ASM converter version": "0.1.93",
"software name": "Gen5",
"software version": "3.12.08"
},
Expand Down
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