From 871058c22a7e5f31015e00c24be42f6f2517faf1 Mon Sep 17 00:00:00 2001 From: Lauri Himanen <lauri.himanen@gmail.com> Date: Wed, 19 Jun 2024 09:17:48 +0000 Subject: [PATCH] Resolve "Move solar cell tests to plugin" --- .../eln/perovskite_database/eqe_file.dat | 53 ---- .../eln/perovskite_database/eqe_file_hzb.txt | 66 ----- .../perovskite_database/example.archive.json | 258 ------------------ .../eln/perovskite_database/jv_file_hzb.txt | 94 ------- .../metainfo/eln/solar_cells/eqe_file.dat | 53 ---- .../metainfo/eln/solar_cells/jv_file.xlsx | Bin 14862 -> 0 bytes .../eln/solar_cells/solar_cell.archive.json | 38 --- .../solar_cell_eln.schema.archive.yaml | 173 ------------ .../example.archive.json | 255 ----------------- .../jv_file_hzb.txt | 94 ------- .../datamodel/metainfo/eln/test_solar_cell.py | 48 ---- tests/normalizing/test_entry_type_and_name.py | 14 - .../test_perovskite_database.py | 46 ---- 13 files changed, 1192 deletions(-) delete mode 100644 tests/data/datamodel/metainfo/eln/perovskite_database/eqe_file.dat delete mode 100644 tests/data/datamodel/metainfo/eln/perovskite_database/eqe_file_hzb.txt delete mode 100644 tests/data/datamodel/metainfo/eln/perovskite_database/example.archive.json delete mode 100644 tests/data/datamodel/metainfo/eln/perovskite_database/jv_file_hzb.txt delete mode 100644 tests/data/datamodel/metainfo/eln/solar_cells/eqe_file.dat delete mode 100644 tests/data/datamodel/metainfo/eln/solar_cells/jv_file.xlsx delete mode 100644 tests/data/datamodel/metainfo/eln/solar_cells/solar_cell.archive.json delete mode 100644 tests/data/datamodel/metainfo/eln/solar_cells/solar_cell_eln.schema.archive.yaml delete mode 100644 tests/data/plugins/perovskite_solar_cell_database/example.archive.json delete mode 100644 tests/data/plugins/perovskite_solar_cell_database/jv_file_hzb.txt delete mode 100644 tests/datamodel/metainfo/eln/test_solar_cell.py delete mode 100644 tests/plugins/perovskite_solar_cell_database/test_perovskite_database.py diff --git a/tests/data/datamodel/metainfo/eln/perovskite_database/eqe_file.dat b/tests/data/datamodel/metainfo/eln/perovskite_database/eqe_file.dat deleted file mode 100644 index 69d859799c..0000000000 --- a/tests/data/datamodel/metainfo/eln/perovskite_database/eqe_file.dat +++ /dev/null @@ -1,53 +0,0 @@ -4.13333333333333 0.040481675 -4 0.108612 -3.875 0.2376965 -3.75757575757576 0.36020825 -3.64705882352941 0.4609545 -3.54285714285714 0.5603 -3.44444444444445 0.5699975 -3.35135135135135 0.56795025 -3.26315789473684 0.531854 -3.17948717948718 0.57506175 -3.1 0.60372325 -3.02439024390244 0.67570025 -2.95238095238095 0.75112525 -2.88372093023256 0.80349175 -2.81818181818182 0.830106 -2.75555555555556 0.84012675 -2.69565217391304 0.817607 -2.63829787234043 0.832261 -2.58333333333333 0.833554 -2.53061224489796 0.828813 -2.48 0.832261 -2.43137254901961 0.83818725 -2.38461538461539 0.84465225 -2.33962264150943 0.85241025 -2.2962962962963 0.85930625 -2.25454545454545 0.86555575 -2.21428571428571 0.86706425 -2.17543859649123 0.8609225 -2.13793103448276 0.84723825 -2.10169491525424 0.83042925 -2.06666666666667 0.8143745 -2.0327868852459 0.800367 -2 0.7975655 -1.96825396825397 0.801229 -1.9375 0.80586225 -1.90769230769231 0.80844825 -1.87878787878788 0.817607 -1.85074626865672 0.82094725 -1.82352941176471 0.82159375 -1.79710144927536 0.8156675 -1.77142857142857 0.8178225 -1.74647887323944 0.81028 -1.72222222222222 0.80844825 -1.6986301369863 0.80262975 -1.67567567567568 0.7967035 -1.65333333333333 0.7583445 -1.63157894736842 0.61449825 -1.61038961038961 0.40083 -1.58974358974359 0.14837175 -1.56962025316456 0.05018995 -1.55 0.015785375 -1.53086419753086 0.0034081325 -1.51219512195122 6.9940525E-4 \ No newline at end of file diff --git a/tests/data/datamodel/metainfo/eln/perovskite_database/eqe_file_hzb.txt b/tests/data/datamodel/metainfo/eln/perovskite_database/eqe_file_hzb.txt deleted file mode 100644 index ec08a698c3..0000000000 --- a/tests/data/datamodel/metainfo/eln/perovskite_database/eqe_file_hzb.txt +++ /dev/null @@ -1,66 +0,0 @@ -[Header] -Measurement Name = "15 of iii batch" -File Path = "/D/Messdaten/Janardan/2019-11-15_EQE/15 of iii batch.TRQ" -time stamp = "15.11.2019 16:46:45" -Scan Type = "QE Scan" -X Units = "Wavelength (nm)" -Y Units = "QE (%)" - -//DATA// -X Y Calculated -3.000160E+2 8.316080E-4 7.650308E+0 -3.100130E+2 2.059950E-3 1.750196E+1 -3.199970E+2 5.630520E-3 3.939813E+1 -3.300070E+2 1.103220E-2 6.316191E+1 -3.400030E+2 1.759350E-2 7.974702E+1 -3.499860E+2 2.558910E-2 8.855117E+1 -3.599920E+2 3.367640E-2 9.034844E+1 -3.699850E+2 4.182460E-2 9.001553E+1 -3.799990E+2 4.647850E-2 8.884880E+1 -3.899980E+2 5.176570E-2 8.871934E+1 -3.999820E+2 5.720540E-2 9.004144E+1 -4.099880E+2 2.708450E-2 8.892358E+1 -4.200180E+2 3.366110E-2 9.035019E+1 -4.299940E+2 3.855920E-2 8.885941E+1 -4.399900E+2 4.801960E-2 8.807763E+1 -4.500050E+2 6.505630E-2 8.843371E+1 -4.600010E+2 7.039690E-2 8.819134E+1 -4.700150E+2 8.582350E-2 8.822716E+1 -4.800090E+2 6.893210E-2 8.857363E+1 -4.899840E+2 6.721540E-2 8.811883E+1 -5.000120E+2 6.538440E-2 8.915358E+1 -5.099820E+2 6.797080E-2 8.927455E+1 -5.200030E+2 7.082410E-2 8.944934E+1 -5.300030E+2 7.552390E-2 9.013320E+1 -5.400170E+2 8.038380E-2 9.172041E+1 -5.500070E+2 8.297780E-2 9.084400E+1 -5.600100E+2 8.652540E-2 9.172046E+1 -5.699890E+2 8.925680E-2 9.116504E+1 -5.800160E+2 9.111070E-2 9.149515E+1 -5.900170E+2 3.225730E-2 9.413957E+1 -5.999920E+2 8.811240E-2 9.263227E+1 -6.100130E+2 9.032490E-2 9.185662E+1 -6.200060E+2 9.479570E-2 9.233827E+1 -6.300080E+2 9.153800E-2 9.075223E+1 -6.400170E+2 8.539630E-2 9.026093E+1 -6.499980E+2 8.877610E-2 8.939026E+1 -6.599840E+2 8.318380E-2 8.835294E+1 -6.700100E+2 8.308460E-2 8.794374E+1 -6.800060E+2 8.309980E-2 8.805904E+1 -6.900060E+2 8.868460E-2 8.746389E+1 -7.000090E+2 7.298330E-2 8.742929E+1 -7.100130E+2 7.509660E-2 8.767018E+1 -7.199850E+2 7.110640E-2 8.675722E+1 -7.299920E+2 7.497450E-2 8.698946E+1 -7.399980E+2 6.890920E-2 8.243236E+1 -7.500040E+2 5.333730E-2 6.867656E+1 -7.600070E+2 3.269220E-2 4.168901E+1 -7.700070E+2 1.273350E-2 1.806291E+1 -7.800040E+2 3.112810E-3 5.757790E+0 -7.899960E+2 9.918290E-4 1.557858E+0 -8.000160E+2 3.051780E-4 4.808556E-1 -8.099970E+2 1.220710E-4 2.097691E-1 -8.200030E+2 9.918260E-5 6.807101E-2 -8.300010E+2 8.392380E-5 3.285799E-2 -8.399890E+2 6.866500E-5 6.791701E-2 -8.500000E+2 6.866500E-5 1.826549E-1 diff --git a/tests/data/datamodel/metainfo/eln/perovskite_database/example.archive.json b/tests/data/datamodel/metainfo/eln/perovskite_database/example.archive.json deleted file mode 100644 index 52855a2dbf..0000000000 --- a/tests/data/datamodel/metainfo/eln/perovskite_database/example.archive.json +++ /dev/null @@ -1,258 +0,0 @@ -{ - "data": { - "m_def": "nomad.datamodel.metainfo.eln.perovskite_solar_cell_database.PerovskiteSolarCell", - "ref": { - "ID": 36709, - "ID_temp": 36709, - "name_of_person_entering_the_data": "Zhigian Xie", - "data_entered_by_author": false, - "DOI_number": "10.1016/j.orgel.2017.05.025", - "lead_author": "Liu et al.", - "publication_date": "2017-05-16", - "journal": "Organic Electronics", - "part_of_initial_dataset": true, - "original_filename_data_upload": "Historic dataset on 2020 11 22_v7.xlsx" - }, - "cell": { - "stack_sequence": "SLG | ITO | PEDOT:PSS | Perovskite | PCBM-60 | Al", - "area_measured": 0.09, - "number_of_cells_per_substrate": 0, - "architecture": "pin", - "flexible": false, - "semitransparent": false, - "semitransparent_wavelength_range": "nan; nan" - }, - "module": { - "Module": false, - "number_of_cells_in_module": 0, - "JV_data_recalculated_per_cell": false - }, - "substrate": { - "stack_sequence": "SLG | ITO", - "deposition_procedure": "Unknown" - }, - "etl": { - "stack_sequence": "PCBM-60", - "additives_compounds": "Unknown", - "deposition_procedure": "Spin-coating", - "deposition_aggregation_state_of_reactants": "Unknown", - "deposition_synthesis_atmosphere": "Unknown", - "deposition_solvents": "Unknown", - "deposition_solvents_supplier": "Unknown", - "deposition_solvents_purity": "Unknown", - "deposition_reaction_solutions_compounds_supplier": "Unknown", - "deposition_reaction_solutions_compounds_purity": "Unknown", - "deposition_reaction_solutions_volumes": "Unknown", - "deposition_reaction_solutions_age": "Unknown", - "deposition_reaction_solutions_temperature": "Unknown", - "deposition_substrate_temperature": "Unknown", - "deposition_thermal_annealing_temperature": "Unknown", - "deposition_thermal_annealing_time": "Unknown", - "deposition_thermal_annealing_atmosphere": "Unknown", - "storage_atmosphere": "Unknown" - }, - "perovskite": { - "single_crystal": false, - "dimension_0D": false, - "dimension_2D": false, - "dimension_2D3D_mixture": false, - "dimension_3D": true, - "dimension_3D_with_2D_capping_layer": false, - "dimension_list_of_layers": "3.0", - "composition_perovskite_ABC3_structure": true, - "composition_perovskite_inspired_structure": false, - "composition_a_ions": "MA", - "composition_a_ions_coefficients": "1", - "composition_b_ions": "Pb", - "composition_b_ions_coefficients": "1", - "composition_c_ions": "I", - "composition_c_ions_coefficients": "3", - "composition_short_form": "MAPbI", - "composition_long_form": "MAPbI3", - "composition_inorganic": false, - "composition_leadfree": false, - "additives_compounds": "Cl", - "band_gap": 1.6, - "band_gap_graded": false, - "band_gap_estimation_basis": "Composition", - "storage_time_until_next_deposition_step": "Unknown", - "storage_atmosphere": "Unknown" - }, - "perovskite_deposition": { - "number_of_deposition_steps": 1, - "procedure": "Spin-coating", - "aggregation_state_of_reactants": "Liquid", - "synthesis_atmosphere": "N2", - "solvents": "DMF", - "solvents_mixing_ratios": "1", - "solvents_supplier": "Unknown", - "solvents_purity": "Unknown", - "reaction_solutions_compounds_supplier": "Unknown", - "reaction_solutions_compounds_purity": "Unknown", - "reaction_solutions_volumes": "Unknown", - "reaction_solutions_age": "Unknown", - "reaction_solutions_temperature": "Unknown", - "substrate_temperature": "Unknown", - "quenching_induced_crystallisation": false, - "quenching_media": "Unknown", - "quenching_media_volume": "Unknown", - "thermal_annealing_temperature": "95.0", - "thermal_annealing_time": "70.0", - "thermal_annealing_atmosphere": "Unknown", - "solvent_annealing": false, - "solvent_annealing_solvent_atmosphere": "Unknown", - "solvent_annealing_time": "Unknown", - "solvent_annealing_temperature": "Unknown" - }, - "htl": { - "stack_sequence": "PEDOT:PSS", - "thickness_list": "45.0", - "deposition_procedure": "Spin-coating", - "deposition_aggregation_state_of_reactants": "Unknown", - "deposition_synthesis_atmosphere": "Unknown", - "deposition_solvents": "Unknown", - "deposition_solvents_supplier": "Unknown", - "deposition_solvents_purity": "Unknown", - "deposition_reaction_solutions_compounds_supplier": "Unknown", - "deposition_reaction_solutions_compounds_purity": "Unknown", - "deposition_reaction_solutions_volumes": "Unknown", - "deposition_reaction_solutions_age": "Unknown", - "deposition_reaction_solutions_temperature": "Unknown", - "deposition_substrate_temperature": "Unknown", - "deposition_thermal_annealing_temperature": "Unknown", - "deposition_thermal_annealing_time": "Unknown", - "deposition_thermal_annealing_atmosphere": "Unknown", - "storage_time_until_next_deposition_step": "Unknown", - "storage_atmosphere": "Unknown" - }, - "backcontact": { - "stack_sequence": "Al", - "thickness_list": "100.0", - "deposition_procedure": "Evaporation", - "deposition_aggregation_state_of_reactants": "Unknown", - "deposition_synthesis_atmosphere": "Unknown", - "deposition_solvents": "Unknown", - "deposition_solvents_supplier": "Unknown", - "deposition_solvents_purity": "Unknown", - "deposition_reaction_solutions_compounds_supplier": "Unknown", - "deposition_reaction_solutions_compounds_purity": "Unknown", - "deposition_reaction_solutions_volumes": "Unknown", - "deposition_reaction_solutions_age": "Unknown", - "deposition_reaction_solutions_temperature": "Unknown", - "deposition_substrate_temperature": "Unknown", - "deposition_thermal_annealing_temperature": "Unknown", - "deposition_thermal_annealing_time": "Unknown", - "deposition_thermal_annealing_atmosphere": "Unknown", - "storage_time_until_next_deposition_step": "Unknown", - "storage_atmosphere": "Unknown" - }, - "add": { - "lay_front": false, - "lay_front_stack_sequence": "Unknown", - "lay_front_deposition_procedure": "Unknown", - "lay_front_deposition_aggregation_state_of_reactants": "Unknown", - "lay_front_deposition_synthesis_atmosphere": "Unknown", - "lay_front_deposition_solvents": "Unknown", - "lay_front_deposition_solvents_supplier": "Unknown", - "lay_front_deposition_solvents_purity": "Unknown", - "lay_front_deposition_reaction_solutions_compounds_supplier": "Unknown", - "lay_front_deposition_reaction_solutions_compounds_purity": "Unknown", - "lay_front_deposition_reaction_solutions_volumes": "Unknown", - "lay_front_deposition_reaction_solutions_age": "Unknown", - "lay_front_deposition_reaction_solutions_temperature": "Unknown", - "lay_front_deposition_substrate_temperature": "Unknown", - "lay_front_deposition_thermal_annealing_temperature": "Unknown", - "lay_front_deposition_thermal_annealing_time": "Unknown", - "lay_front_deposition_thermal_annealing_atmosphere": "Unknown", - "lay_front_storage_time_until_next_deposition_step": "Unknown", - "lay_front_storage_atmosphere": "Unknown", - "lay_back": false, - "lay_back_stack_sequence": "Unknown", - "lay_back_deposition_procedure": "Unknown", - "lay_back_deposition_aggregation_state_of_reactants": "Unknown", - "lay_back_deposition_synthesis_atmosphere": "Unknown", - "lay_back_deposition_solvents": "Unknown", - "lay_back_deposition_solvents_supplier": "Unknown", - "lay_back_deposition_solvents_purity": "Unknown", - "lay_back_deposition_reaction_solutions_compounds_supplier": "Unknown", - "lay_back_deposition_reaction_solutions_compounds_purity": "Unknown", - "lay_back_deposition_reaction_solutions_volumes": "Unknown", - "lay_back_deposition_reaction_solutions_age": "Unknown", - "lay_back_deposition_reaction_solutions_temperature": "Unknown", - "lay_back_deposition_substrate_temperature": "Unknown", - "lay_back_deposition_thermal_annealing_temperature": "Unknown", - "lay_back_deposition_thermal_annealing_time": "Unknown", - "lay_back_deposition_thermal_annealing_atmosphere": "Unknown", - "lay_back_storage_time_until_next_deposition_step": "Unknown", - "lay_back_storage_atmosphere": "Unknown" - }, - "encapsulation": { - "Encapsulation": false, - "stack_sequence": "Unknown", - "edge_sealing_materials": "Unknown", - "atmosphere_for_encapsulation": "Unknown" - }, - "jv": { - "data_file": "jv_file_hzb.txt", - "measured": true, - "average_over_n_number_of_cells": 1, - "certified_values": false, - "storage_age_of_cell": "Unknown", - "storage_atmosphere": "Unknown", - "test_atmosphere": "Air", - "light_intensity": 100.0, - "light_spectra": "AM 1.5", - "light_wavelength_range": "nan; nan", - "light_masked_cell": false, - "reverse_scan_Voc": 0.6, - "reverse_scan_Jsc": 19.42, - "reverse_scan_FF": 0.54, - "reverse_scan_PCE": 6.29, - "default_Voc": 0.6, - "default_Jsc": 19.42, - "default_FF": 0.54, - "default_PCE": 6.29, - "default_Voc_scan_direction": "Reversed", - "default_Jsc_scan_direction": "Reversed", - "default_FF_scan_direction": "Reversed", - "default_PCE_scan_direction": "Reversed" - }, - "stabilised": { - "performance_measured": false - }, - "eqe": { - "eqe_data_file": "eqe_file.dat" - }, - "stability": { - "measured": false, - "average_over_n_number_of_cells": 1, - "light_wavelength_range": "nan; nan", - "light_cycling_times": "Unknown", - "light_UV_filter": false, - "potential_bias_range": "nan; nan", - "temperature_range": "nan; nan", - "temperature_cycling_times": "Unknown", - "atmosphere": "Unknown", - "relative_humidity_range": "nan; nan", - "periodic_JV_measurements": false, - "periodic_JV_measurements_time_between_jv": "Unknown", - "PCE_burn_in_observed": false, - "flexible_cell_number_of_bending_cycles": 0 - }, - "outdoor": { - "tested": false, - "average_over_n_number_of_cells": 1, - "location_coordinates": "nan; nan", - "installation_number_of_solar_tracking_axis": 0, - "time_start": "0000:00:00:00:00", - "time_end": "0000:00:00:00:00", - "potential_bias_range": "nan; nan", - "temperature_range": "nan; nan", - "periodic_JV_measurements": false, - "PCE_burn_in_observed": false, - "detaild_weather_data_available": false, - "spectral_data_available": false, - "irradiance_measured": false - } - } -} \ No newline at end of file diff --git a/tests/data/datamodel/metainfo/eln/perovskite_database/jv_file_hzb.txt b/tests/data/datamodel/metainfo/eln/perovskite_database/jv_file_hzb.txt deleted file mode 100644 index 3dcf6fa485..0000000000 --- a/tests/data/datamodel/metainfo/eln/perovskite_database/jv_file_hzb.txt +++ /dev/null @@ -1,94 +0,0 @@ -Keithley, SerialNo, Firmware: KEITHLEY INSTRUMENTS INC.,MODEL 2400,4053247,C32 Oct 4 2010 14:20:11/A02 /U/K -active area [cm2]: 0.160000 0.160000 0.160000 -intensity [mW/cm2]: 100.000000 -integration time [ms]: 20.000000 -settling time [ms]: 40.000000 -averaging [pts.]: 1.000000 -compliance [mA/cm2]: 30.000000 -**************************************** -Parameter b_rev b_for c_rev c_for f_rev f_for -J_sc [mA/cm2]: -21.990472 -21.944247 -21.919781 -21.907378 -22.156144 -22.112372 -V_oc [V]: 1.212763 1.199200 1.202260 1.190295 1.204357 1.195193 -Fill factor [pct.]: 79.948537 78.653476 79.799317 78.685959 80.297248 79.548480 -Efficiency : 21.321657 20.698082 21.029735 20.518333 21.426440 21.023516 -P_MPP [mW/cm2]: 21.321657 20.698082 21.029735 20.518333 21.426440 21.023516 -J_MPP [mA/cm2]: -20.700637 -20.493150 -20.417219 -20.315181 -20.802369 -20.815362 -U_MPP [V]: 1.030000 1.010000 1.030000 1.010000 1.030000 1.010000 -R_ser [Ohmcm2]: 0.003881 0.004293 0.004153 0.004282 0.003943 0.003804 -R_par [Ohmcm2]: 7.713772 2.388211 5.635667 3.500885 11.425851 4.414420 -**************************************** -Voltage b_rev b_for c_rev c_for f_rev f_for -[V] [mA/cm2] [mA/cm2] [mA/cm2] [mA/cm2] [mA/cm2] [mA/cm2] -1.250000E+0 1.025890E+1 1.304562E+1 1.298576E+1 1.563378E+1 1.325232E+1 1.611942E+1 -1.230000E+0 4.441177E+0 7.418619E+0 7.122237E+0 9.871294E+0 7.003875E+0 9.605781E+0 -1.210000E+0 -7.118425E-1 2.515849E+0 1.863923E+0 4.601769E+0 1.431338E+0 3.892105E+0 -1.190000E+0 -5.257844E+0 -2.142975E+0 -2.952447E+0 -6.877587E-2 -3.641481E+0 -1.365105E+0 -1.170000E+0 -9.127156E+0 -6.331387E+0 -7.071175E+0 -4.305917E+0 -7.944819E+0 -6.003497E+0 -1.150000E+0 -1.242036E+1 -9.697612E+0 -1.068352E+1 -7.931987E+0 -1.161256E+1 -9.740388E+0 -1.130000E+0 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--1.900000E-1 -2.202528E+1 -2.202426E+1 -2.196246E+1 -2.196426E+1 -2.217145E+1 -2.217339E+1 diff --git a/tests/data/datamodel/metainfo/eln/solar_cells/eqe_file.dat b/tests/data/datamodel/metainfo/eln/solar_cells/eqe_file.dat deleted file mode 100644 index 69d859799c..0000000000 --- a/tests/data/datamodel/metainfo/eln/solar_cells/eqe_file.dat +++ /dev/null @@ -1,53 +0,0 @@ -4.13333333333333 0.040481675 -4 0.108612 -3.875 0.2376965 -3.75757575757576 0.36020825 -3.64705882352941 0.4609545 -3.54285714285714 0.5603 -3.44444444444445 0.5699975 -3.35135135135135 0.56795025 -3.26315789473684 0.531854 -3.17948717948718 0.57506175 -3.1 0.60372325 -3.02439024390244 0.67570025 -2.95238095238095 0.75112525 -2.88372093023256 0.80349175 -2.81818181818182 0.830106 -2.75555555555556 0.84012675 -2.69565217391304 0.817607 -2.63829787234043 0.832261 -2.58333333333333 0.833554 -2.53061224489796 0.828813 -2.48 0.832261 -2.43137254901961 0.83818725 -2.38461538461539 0.84465225 -2.33962264150943 0.85241025 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a/tests/data/datamodel/metainfo/eln/solar_cells/solar_cell.archive.json +++ /dev/null @@ -1,38 +0,0 @@ -{ - "data": { - "m_def": "../upload/raw/solar_cell_eln.schema.archive.yaml#/definitions/section_definitions/0", - "description": "<p>This is an example of an ELN for a single solar cell.</p>", - "publication_reference": { - "DOI_number": "https://doi.org/10.1016/j.solmat.2015.10.004" - }, - "solar_cell_definition": { - "stack_sequence": [ - "SLG", - "Mo", - "CZTSe", - "CdS", - "i-ZnO", - "Al:ZnO", - "Ni/Al/Ni" - ], - "solar_cell_area": 0.01, - "architecture": "Pn-Heterojunction" - }, - "solar_cell_parameters": { - "data_file": "jv_file.xlsx", - "light_intensity": 100 - }, - "solar_cell_eqe": { - "eqe_data_file": "eqe_file.dat", - "header_lines": 0 - }, - "absorber_layer": { - "chemical_formula": "Cu0.50Zn0.25Sn0.25Se1", - "bandgap": 1.05, - "solar_cell_layer_type": "Absorber", - "layer_name": "CZTSe", - "layer_thickness": 2000 - } - }, - "m_ref_archives": {} -} \ No newline at end of file diff --git a/tests/data/datamodel/metainfo/eln/solar_cells/solar_cell_eln.schema.archive.yaml b/tests/data/datamodel/metainfo/eln/solar_cells/solar_cell_eln.schema.archive.yaml deleted file mode 100644 index 12fd3dc178..0000000000 --- a/tests/data/datamodel/metainfo/eln/solar_cells/solar_cell_eln.schema.archive.yaml +++ /dev/null @@ -1,173 +0,0 @@ -definitions: - name: 'Solar cell schema' - sections: - SolarCell: - # Important: must inherit from both, ElnBaseSection and TableRow - # `base_sections` are used to inherit from definitions alreadybin nomad. These base classes - # do some work in the backgroud, like parsing the values, making quantities serachable and copying - # values to our `Results` section, where all the entries become interoperable. - base_sections: - #- nomad.datamodel.metainfo.eln.ElnBaseSection - - 'nomad.datamodel.data.EntryData' - - m_annotations: - eln: - hide: ['name', 'lab_id'] # We want to hide some quantities defined in ElnBaseSection in our forms. - quantities: - description: - type: str - m_annotations: - eln: - component: RichTextEditQuantity - sub_sections: - publication_reference: - section: - # base_sections: - # - 'nomad.datamodel.metainfo.eln.PublicationReference' - quantities: - DOI_number: - type: str - m_annotations: - eln: - component: StringEditQuantity - solar_cell_definition: - section: - base_section: nomad.datamodel.metainfo.eln.SolarCellDefinition - solar_cell_parameters: - section: - base_sections: - - 'nomad.datamodel.metainfo.eln.SolarCellJVCurve' - - 'nomad.parsing.tabular.TableData' - m_annotations: - # We can use the eln annotations to put the section to the overview - # page, and hide unwanted inherited quantities. - eln: - overview: true - hide: ['potential_at_maximum_power_point', 'current_density_at_maximun_power_point', 'series_resistance', 'shunt_resistance'] - # Plots are shown in the eln. Currently we only support simple x,y - # line plots - plot: - title: J-V curve - x: voltage - y: current_density - quantities: - data_file: - type: str - description: | - A reference to an uploaded .csv produced by the PVD evaporation instruments - control software. - m_annotations: - # The tabular_parser annotation, will treat the values of this - # quantity as files. It will try to interpret the files and fill - # quantities in this section (and sub_section) with the column - # data of .csv or .xlsx files. - tabular_parser: - # sep: '\t' - comment: '#' - browser: - adaptor: RawFileAdaptor # Allows to navigate to files in the data browser - eln: - component: FileEditQuantity # A form field that allows to drop and select files. - current_density: - type: np.float64 - shape: ['*'] - unit: mA/cm**2 - m_annotations: - # The tabular annotation defines a mapping to column headers used in - # tabular data files - tabular: - name: j_sc - voltage: - type: np.float64 - shape: ['*'] - unit: V - m_annotations: - tabular: - name: Voltage - plot: - x: voltage - y: current_density - open_circuit_voltage: - type: np.float64 - unit: V - m_annotations: - eln: - component: NumberEditQuantity - short_circuit_current_density: - type: np.float64 - unit: mA/cm**2 - m_annotations: - eln: - component: NumberEditQuantity - fill_factor: - type: np.float64 - m_annotations: - eln: - component: NumberEditQuantity - efficiency: - type: np.float64 - m_annotations: - eln: - component: NumberEditQuantity - solar_cell_eqe: - section: - base_section: nomad.datamodel.metainfo.eln.SolarCellEQE - m_annotations: - # We can use the eln annotations to put the section to the overview - # page, and hide unwanted inherited quantities. - eln: - overview: true - # Plots are shown in the eln. Currently we only support simple x,y - # line plots - plot: - title: Extenral quantum efficiency (EQE) - x: raw_wavelength_array - y: raw_eqe_array - absorber_layer: - section: - # Below we inherit from 3 base sections. The Chemical base section adds the - # base ELN quantities ['name', 'lab_id', 'description'] that we decide to hide - # and a quantity called `chemical_formula`. `chemical formula` is a quantity in which - # a valid chemical formula gets parsed to make the entry searchable by elements and different - # formulae represetantions. The rule here is to introduce formulas which are - # valid for pymatgen.core.composition. For example, Cu2Zn(Sn0.2Ga0.8)(S0.25Se0.75)4 will - # be recognise, but Cu2Zn(Sn,Ga)(S,Se)4 will not work out because of the commas. - base_sections: - - 'nomad.datamodel.metainfo.eln.Chemical' - - 'nomad.datamodel.metainfo.eln.SolarCellBaseSectionWithOptoelectronicProperties' - - 'nomad.datamodel.metainfo.eln.SolarCellLayer' - # base_section: nomad.datamodel.metainfo.eln.Chemical - m_annotations: - eln: - hide: ['name', 'lab_id', 'description'] - quantities: - chemical_formula: - type: str - m_annotations: - eln: - component: StringEditQuantity - #TODO check why multiple inheritance breaks here and it does normalize the formulas with the quantity below - solar_cell_layer_type: - type: str # The simple string type - default: Absorber - m_annotations: - eln: - component: StringEditQuantity # A simple text edit form field - # layer_name: - # type: str # The simple string type - # shape: ['0..*'] # The simple string type - # default: MyAbsorber - # m_annotations: - # eln: - # component: StringEditQuantity # A simple text edit form field - layer_name: - type: str - m_annotations: - eln: - component: StringEditQuantity - bandgap: - type: np.float64 - unit: eV - m_annotations: - eln: - component: NumberEditQuantity \ No newline at end of file diff --git a/tests/data/plugins/perovskite_solar_cell_database/example.archive.json b/tests/data/plugins/perovskite_solar_cell_database/example.archive.json deleted file mode 100644 index 39767f81bc..0000000000 --- a/tests/data/plugins/perovskite_solar_cell_database/example.archive.json +++ /dev/null @@ -1,255 +0,0 @@ -{ - "data": { - "m_def": "perovskite_solar_cell_database.schema.PerovskiteSolarCell", - "ref": { - "ID": 36709, - "ID_temp": 36709, - "name_of_person_entering_the_data": "Zhigian Xie", - "data_entered_by_author": false, - "DOI_number": "10.1016/j.orgel.2017.05.025", - "lead_author": "Liu et al.", - "publication_date": "2017-05-16", - "journal": "Organic Electronics", - "part_of_initial_dataset": true, - "original_filename_data_upload": "Historic dataset on 2020 11 22_v7.xlsx" - }, - "cell": { - "stack_sequence": "SLG | ITO | PEDOT:PSS | Perovskite | PCBM-60 | Al", - "area_measured": 0.09, - "number_of_cells_per_substrate": 0, - "architecture": "pin", - "flexible": false, - "semitransparent": false, - "semitransparent_wavelength_range": "nan; nan" - }, - "module": { - "Module": false, - "number_of_cells_in_module": 0, - "JV_data_recalculated_per_cell": false - }, - "substrate": { - "stack_sequence": "SLG | ITO", - "deposition_procedure": "Unknown" - }, - "etl": { - "stack_sequence": "PCBM-60", - "additives_compounds": "Unknown", - "deposition_procedure": "Spin-coating", - "deposition_aggregation_state_of_reactants": "Unknown", - "deposition_synthesis_atmosphere": "Unknown", - "deposition_solvents": "Unknown", - "deposition_solvents_supplier": "Unknown", - "deposition_solvents_purity": "Unknown", - "deposition_reaction_solutions_compounds_supplier": "Unknown", - "deposition_reaction_solutions_compounds_purity": "Unknown", - "deposition_reaction_solutions_volumes": "Unknown", - "deposition_reaction_solutions_age": "Unknown", - "deposition_reaction_solutions_temperature": "Unknown", - "deposition_substrate_temperature": "Unknown", - "deposition_thermal_annealing_temperature": "Unknown", - "deposition_thermal_annealing_time": "Unknown", - "deposition_thermal_annealing_atmosphere": "Unknown", - "storage_atmosphere": "Unknown" - }, - "perovskite": { - "single_crystal": false, - "dimension_0D": false, - "dimension_2D": false, - "dimension_2D3D_mixture": false, - "dimension_3D": true, - "dimension_3D_with_2D_capping_layer": false, - "dimension_list_of_layers": "3.0", - "composition_perovskite_ABC3_structure": true, - "composition_perovskite_inspired_structure": false, - "composition_a_ions": "MA", - "composition_a_ions_coefficients": "1", - "composition_b_ions": "Pb", - "composition_b_ions_coefficients": "1", - "composition_c_ions": "I", - "composition_c_ions_coefficients": "3", - "composition_short_form": "MAPbI", - "composition_long_form": "MAPbI3", - "composition_inorganic": false, - "composition_leadfree": false, - "additives_compounds": "Cl", - "band_gap": 1.6, - "band_gap_graded": "false", - "band_gap_estimation_basis": "Composition", - "storage_time_until_next_deposition_step": "Unknown", - "storage_atmosphere": "Unknown" - }, - "perovskite_deposition": { - "number_of_deposition_steps": 1, - "procedure": "Spin-coating", - "aggregation_state_of_reactants": "Liquid", - "synthesis_atmosphere": "N2", - "solvents": "DMF", - "solvents_mixing_ratios": "1", - "solvents_supplier": "Unknown", - "solvents_purity": "Unknown", - "reaction_solutions_compounds_supplier": "Unknown", - "reaction_solutions_compounds_purity": "Unknown", - "reaction_solutions_volumes": "Unknown", - "reaction_solutions_age": "Unknown", - "reaction_solutions_temperature": "Unknown", - "substrate_temperature": "Unknown", - "quenching_induced_crystallisation": false, - "quenching_media": "Unknown", - "quenching_media_volume": "Unknown", - "thermal_annealing_temperature": "95.0", - "thermal_annealing_time": "70.0", - "thermal_annealing_atmosphere": "Unknown", - "solvent_annealing": false, - "solvent_annealing_solvent_atmosphere": "Unknown", - "solvent_annealing_time": "Unknown", - "solvent_annealing_temperature": "Unknown" - }, - "htl": { - "stack_sequence": "PEDOT:PSS", - "thickness_list": "45.0", - "deposition_procedure": "Spin-coating", - "deposition_aggregation_state_of_reactants": "Unknown", - "deposition_synthesis_atmosphere": "Unknown", - "deposition_solvents": "Unknown", - "deposition_solvents_supplier": "Unknown", - "deposition_solvents_purity": "Unknown", - "deposition_reaction_solutions_compounds_supplier": "Unknown", - "deposition_reaction_solutions_compounds_purity": "Unknown", - "deposition_reaction_solutions_volumes": "Unknown", - "deposition_reaction_solutions_age": "Unknown", - "deposition_reaction_solutions_temperature": "Unknown", - "deposition_substrate_temperature": "Unknown", - "deposition_thermal_annealing_temperature": "Unknown", - "deposition_thermal_annealing_time": "Unknown", - "deposition_thermal_annealing_atmosphere": "Unknown", - "storage_time_until_next_deposition_step": "Unknown", - "storage_atmosphere": "Unknown" - }, - "backcontact": { - "stack_sequence": "Al", - "thickness_list": "100.0", - "deposition_procedure": "Evaporation", - "deposition_aggregation_state_of_reactants": "Unknown", - "deposition_synthesis_atmosphere": "Unknown", - "deposition_solvents": "Unknown", - "deposition_solvents_supplier": "Unknown", - "deposition_solvents_purity": "Unknown", - "deposition_reaction_solutions_compounds_supplier": "Unknown", - "deposition_reaction_solutions_compounds_purity": "Unknown", - "deposition_reaction_solutions_volumes": "Unknown", - "deposition_reaction_solutions_age": "Unknown", - "deposition_reaction_solutions_temperature": "Unknown", - "deposition_substrate_temperature": "Unknown", - "deposition_thermal_annealing_temperature": "Unknown", - "deposition_thermal_annealing_time": "Unknown", - "deposition_thermal_annealing_atmosphere": "Unknown", - "storage_time_until_next_deposition_step": "Unknown", - "storage_atmosphere": "Unknown" - }, - "add": { - "lay_front": false, - "lay_front_stack_sequence": "Unknown", - "lay_front_deposition_procedure": "Unknown", - "lay_front_deposition_aggregation_state_of_reactants": "Unknown", - "lay_front_deposition_synthesis_atmosphere": "Unknown", - "lay_front_deposition_solvents": "Unknown", - "lay_front_deposition_solvents_supplier": "Unknown", - "lay_front_deposition_solvents_purity": "Unknown", - "lay_front_deposition_reaction_solutions_compounds_supplier": "Unknown", - "lay_front_deposition_reaction_solutions_compounds_purity": "Unknown", - "lay_front_deposition_reaction_solutions_volumes": "Unknown", - "lay_front_deposition_reaction_solutions_age": "Unknown", - "lay_front_deposition_reaction_solutions_temperature": "Unknown", - "lay_front_deposition_substrate_temperature": "Unknown", - "lay_front_deposition_thermal_annealing_temperature": "Unknown", - "lay_front_deposition_thermal_annealing_time": "Unknown", - "lay_front_deposition_thermal_annealing_atmosphere": "Unknown", - "lay_front_storage_time_until_next_deposition_step": "Unknown", - "lay_front_storage_atmosphere": "Unknown", - "lay_back": false, - "lay_back_stack_sequence": "Unknown", - "lay_back_deposition_procedure": "Unknown", - "lay_back_deposition_aggregation_state_of_reactants": "Unknown", - "lay_back_deposition_synthesis_atmosphere": "Unknown", - "lay_back_deposition_solvents": "Unknown", - "lay_back_deposition_solvents_supplier": "Unknown", - "lay_back_deposition_solvents_purity": "Unknown", - "lay_back_deposition_reaction_solutions_compounds_supplier": "Unknown", - "lay_back_deposition_reaction_solutions_compounds_purity": "Unknown", - "lay_back_deposition_reaction_solutions_volumes": "Unknown", - "lay_back_deposition_reaction_solutions_age": "Unknown", - "lay_back_deposition_reaction_solutions_temperature": "Unknown", - "lay_back_deposition_substrate_temperature": "Unknown", - "lay_back_deposition_thermal_annealing_temperature": "Unknown", - "lay_back_deposition_thermal_annealing_time": "Unknown", - "lay_back_deposition_thermal_annealing_atmosphere": "Unknown", - "lay_back_storage_time_until_next_deposition_step": "Unknown", - "lay_back_storage_atmosphere": "Unknown" - }, - "encapsulation": { - "Encapsulation": false, - "stack_sequence": "Unknown", - "edge_sealing_materials": "Unknown", - "atmosphere_for_encapsulation": "Unknown" - }, - "jv": { - "data_file": "jv_file_hzb.txt", - "measured": true, - "average_over_n_number_of_cells": 1, - "certified_values": false, - "storage_age_of_cell": "Unknown", - "storage_atmosphere": "Unknown", - "test_atmosphere": "Air", - "light_intensity": 100.0, - "light_spectra": "AM 1.5", - "light_wavelength_range": "nan; nan", - "light_masked_cell": false, - "reverse_scan_Voc": 0.6, - "reverse_scan_Jsc": 19.42, - "reverse_scan_FF": 0.54, - "reverse_scan_PCE": 6.29, - "default_Voc": 0.6, - "default_Jsc": 19.42, - "default_FF": 0.54, - "default_PCE": 6.29, - "default_Voc_scan_direction": "Reversed", - "default_Jsc_scan_direction": "Reversed", - "default_FF_scan_direction": "Reversed", - "default_PCE_scan_direction": "Reversed" - }, - "stabilised": { - "performance_measured": false - }, - "stability": { - "measured": false, - "average_over_n_number_of_cells": 1, - "light_wavelength_range": "nan; nan", - "light_cycling_times": "Unknown", - "light_UV_filter": false, - "potential_bias_range": "nan; nan", - "temperature_range": "nan; nan", - "temperature_cycling_times": "Unknown", - "atmosphere": "Unknown", - "relative_humidity_range": "nan; nan", - "periodic_JV_measurements": false, - "periodic_JV_measurements_time_between_jv": "Unknown", - "PCE_burn_in_observed": false, - "flexible_cell_number_of_bending_cycles": 0 - }, - "outdoor": { - "tested": false, - "average_over_n_number_of_cells": 1, - "location_coordinates": "nan; nan", - "installation_number_of_solar_tracking_axis": 0, - "time_start": "0000:00:00:00:00", - "time_end": "0000:00:00:00:00", - "potential_bias_range": "nan; nan", - "temperature_range": "nan; nan", - "periodic_JV_measurements": false, - "PCE_burn_in_observed": false, - "detaild_weather_data_available": false, - "spectral_data_available": false, - "irradiance_measured": false - } - } -} diff --git a/tests/data/plugins/perovskite_solar_cell_database/jv_file_hzb.txt b/tests/data/plugins/perovskite_solar_cell_database/jv_file_hzb.txt deleted file mode 100644 index 3dcf6fa485..0000000000 --- a/tests/data/plugins/perovskite_solar_cell_database/jv_file_hzb.txt +++ /dev/null @@ -1,94 +0,0 @@ -Keithley, SerialNo, Firmware: KEITHLEY INSTRUMENTS INC.,MODEL 2400,4053247,C32 Oct 4 2010 14:20:11/A02 /U/K -active area [cm2]: 0.160000 0.160000 0.160000 -intensity [mW/cm2]: 100.000000 -integration time [ms]: 20.000000 -settling time [ms]: 40.000000 -averaging [pts.]: 1.000000 -compliance [mA/cm2]: 30.000000 -**************************************** -Parameter b_rev b_for c_rev c_for f_rev f_for -J_sc [mA/cm2]: -21.990472 -21.944247 -21.919781 -21.907378 -22.156144 -22.112372 -V_oc [V]: 1.212763 1.199200 1.202260 1.190295 1.204357 1.195193 -Fill factor [pct.]: 79.948537 78.653476 79.799317 78.685959 80.297248 79.548480 -Efficiency : 21.321657 20.698082 21.029735 20.518333 21.426440 21.023516 -P_MPP [mW/cm2]: 21.321657 20.698082 21.029735 20.518333 21.426440 21.023516 -J_MPP [mA/cm2]: -20.700637 -20.493150 -20.417219 -20.315181 -20.802369 -20.815362 -U_MPP [V]: 1.030000 1.010000 1.030000 1.010000 1.030000 1.010000 -R_ser [Ohmcm2]: 0.003881 0.004293 0.004153 0.004282 0.003943 0.003804 -R_par [Ohmcm2]: 7.713772 2.388211 5.635667 3.500885 11.425851 4.414420 -**************************************** -Voltage b_rev b_for c_rev c_for f_rev f_for -[V] [mA/cm2] [mA/cm2] [mA/cm2] [mA/cm2] [mA/cm2] [mA/cm2] -1.250000E+0 1.025890E+1 1.304562E+1 1.298576E+1 1.563378E+1 1.325232E+1 1.611942E+1 -1.230000E+0 4.441177E+0 7.418619E+0 7.122237E+0 9.871294E+0 7.003875E+0 9.605781E+0 -1.210000E+0 -7.118425E-1 2.515849E+0 1.863923E+0 4.601769E+0 1.431338E+0 3.892105E+0 -1.190000E+0 -5.257844E+0 -2.142975E+0 -2.952447E+0 -6.877587E-2 -3.641481E+0 -1.365105E+0 -1.170000E+0 -9.127156E+0 -6.331387E+0 -7.071175E+0 -4.305917E+0 -7.944819E+0 -6.003497E+0 -1.150000E+0 -1.242036E+1 -9.697612E+0 -1.068352E+1 -7.931987E+0 -1.161256E+1 -9.740388E+0 -1.130000E+0 -1.505515E+1 -1.271654E+1 -1.364343E+1 -1.122092E+1 -1.453459E+1 -1.296564E+1 -1.110000E+0 -1.706078E+1 -1.514881E+1 -1.596279E+1 -1.395711E+1 -1.677464E+1 -1.552921E+1 -1.090000E+0 -1.852048E+1 -1.703366E+1 -1.770642E+1 -1.612039E+1 -1.840756E+1 -1.743408E+1 -1.070000E+0 -1.954996E+1 -1.842642E+1 -1.896807E+1 -1.776905E+1 -1.954127E+1 -1.882361E+1 -1.050000E+0 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-2.167409E+1 -2.149451E+1 -2.161284E+1 -2.149957E+1 -2.184599E+1 -2.173671E+1 -8.100000E-1 -2.170554E+1 -2.152117E+1 -2.163509E+1 -2.153353E+1 -2.187198E+1 -2.178043E+1 -7.900000E-1 -2.171649E+1 -2.154763E+1 -2.164766E+1 -2.155873E+1 -2.189313E+1 -2.178582E+1 -7.700000E-1 -2.174364E+1 -2.157167E+1 -2.167628E+1 -2.159013E+1 -2.190589E+1 -2.179879E+1 -7.500000E-1 -2.176859E+1 -2.160255E+1 -2.168831E+1 -2.162086E+1 -2.197131E+1 -2.183247E+1 -7.300000E-1 -2.176398E+1 -2.161996E+1 -2.170344E+1 -2.163804E+1 -2.195083E+1 -2.184982E+1 -7.100000E-1 -2.177779E+1 -2.163367E+1 -2.170807E+1 -2.166183E+1 -2.195607E+1 -2.186744E+1 -6.900000E-1 -2.179143E+1 -2.165136E+1 -2.172615E+1 -2.166964E+1 -2.196920E+1 -2.187262E+1 -6.700000E-1 -2.180589E+1 -2.166375E+1 -2.173724E+1 -2.170042E+1 -2.198365E+1 -2.189217E+1 -6.500000E-1 -2.183433E+1 -2.168870E+1 -2.174724E+1 -2.169745E+1 -2.199126E+1 -2.190176E+1 -6.300000E-1 -2.183741E+1 -2.170239E+1 -2.176643E+1 -2.170965E+1 -2.199935E+1 -2.190839E+1 -6.100000E-1 -2.184731E+1 -2.170917E+1 -2.177483E+1 -2.172488E+1 -2.201533E+1 -2.191694E+1 -5.900000E-1 -2.184727E+1 -2.172484E+1 -2.178161E+1 -2.173090E+1 -2.201621E+1 -2.192619E+1 -5.700000E-1 -2.186279E+1 -2.173348E+1 -2.179218E+1 -2.174721E+1 -2.202896E+1 -2.193119E+1 -5.500000E-1 -2.187009E+1 -2.174856E+1 -2.180245E+1 -2.175353E+1 -2.204434E+1 -2.194985E+1 -5.300000E-1 -2.187366E+1 -2.175560E+1 -2.181798E+1 -2.175985E+1 -2.204221E+1 -2.196009E+1 -5.100000E-1 -2.186912E+1 -2.175539E+1 -2.180661E+1 -2.176487E+1 -2.204581E+1 -2.198422E+1 -4.900000E-1 -2.188380E+1 -2.175927E+1 -2.182083E+1 -2.177364E+1 -2.205827E+1 -2.197462E+1 -4.700000E-1 -2.189226E+1 -2.178195E+1 -2.182321E+1 -2.178966E+1 -2.206586E+1 -2.197236E+1 -4.500000E-1 -2.190800E+1 -2.179454E+1 -2.182785E+1 -2.179076E+1 -2.205257E+1 -2.198789E+1 -4.300000E-1 -2.190805E+1 -2.179998E+1 -2.183592E+1 -2.178955E+1 -2.206055E+1 -2.198835E+1 -4.100000E-1 -2.190687E+1 -2.180124E+1 -2.184692E+1 -2.180002E+1 -2.207516E+1 -2.198765E+1 -3.900000E-1 -2.191933E+1 -2.180779E+1 -2.184661E+1 -2.180141E+1 -2.208782E+1 -2.199466E+1 -3.700000E-1 -2.191458E+1 -2.181782E+1 -2.185260E+1 -2.180750E+1 -2.209398E+1 -2.201423E+1 -3.500000E-1 -2.193024E+1 -2.183102E+1 -2.186066E+1 -2.181133E+1 -2.210108E+1 -2.201576E+1 -3.300000E-1 -2.192139E+1 -2.182709E+1 -2.187163E+1 -2.182527E+1 -2.210424E+1 -2.201655E+1 -3.100000E-1 -2.193365E+1 -2.182834E+1 -2.187743E+1 -2.185284E+1 -2.210512E+1 -2.201807E+1 -2.900000E-1 -2.193319E+1 -2.183581E+1 -2.187978E+1 -2.183218E+1 -2.210608E+1 -2.203064E+1 -2.700000E-1 -2.194684E+1 -2.183882E+1 -2.187957E+1 -2.184438E+1 -2.211376E+1 -2.204028E+1 -2.500000E-1 -2.195122E+1 -2.185581E+1 -2.188279E+1 -2.185389E+1 -2.212118E+1 -2.204807E+1 -2.300000E-1 -2.195383E+1 -2.185758E+1 -2.188747E+1 -2.185564E+1 -2.211659E+1 -2.205174E+1 -2.100000E-1 -2.196062E+1 -2.186272E+1 -2.189007E+1 -2.185576E+1 -2.212251E+1 -2.204777E+1 -1.900000E-1 -2.196546E+1 -2.187527E+1 -2.189778E+1 -2.186319E+1 -2.212619E+1 -2.206149E+1 -1.700000E-1 -2.197579E+1 -2.188239E+1 -2.189776E+1 -2.187308E+1 -2.212798E+1 -2.205918E+1 -1.500000E-1 -2.197396E+1 -2.189773E+1 -2.190796E+1 -2.186172E+1 -2.213826E+1 -2.207336E+1 -1.300000E-1 -2.196986E+1 -2.190125E+1 -2.191359E+1 -2.187469E+1 -2.213868E+1 -2.207542E+1 -1.100000E-1 -2.197719E+1 -2.190667E+1 -2.190438E+1 -2.187587E+1 -2.213187E+1 -2.208329E+1 -9.000000E-2 -2.198371E+1 -2.189874E+1 -2.190806E+1 -2.187177E+1 -2.214866E+1 -2.208741E+1 -7.000000E-2 -2.198509E+1 -2.190951E+1 -2.191486E+1 -2.189256E+1 -2.215804E+1 -2.210326E+1 -5.000000E-2 -2.198931E+1 -2.192970E+1 -2.191996E+1 -2.189848E+1 -2.216282E+1 -2.210772E+1 -3.000000E-2 -2.198476E+1 -2.193627E+1 -2.192248E+1 -2.190049E+1 -2.215970E+1 -2.211450E+1 -1.000000E-2 -2.198960E+1 -2.194210E+1 -2.191943E+1 -2.190851E+1 -2.214987E+1 -2.211301E+1 --1.000000E-2 -2.199134E+1 -2.194639E+1 -2.192013E+1 -2.190624E+1 -2.216241E+1 -2.211174E+1 --3.000000E-2 -2.199572E+1 -2.195739E+1 -2.193785E+1 -2.192125E+1 -2.216145E+1 -2.211437E+1 --5.000000E-2 -2.200338E+1 -2.196317E+1 -2.193500E+1 -2.192322E+1 -2.216887E+1 -2.213024E+1 --7.000000E-2 -2.199970E+1 -2.197681E+1 -2.194288E+1 -2.192071E+1 -2.216379E+1 -2.213341E+1 --9.000000E-2 -2.200821E+1 -2.197381E+1 -2.193777E+1 -2.193421E+1 -2.217094E+1 -2.213470E+1 --1.100000E-1 -2.201539E+1 -2.198415E+1 -2.194057E+1 -2.193634E+1 -2.215981E+1 -2.213841E+1 --1.300000E-1 -2.201962E+1 -2.198947E+1 -2.195136E+1 -2.194356E+1 -2.216609E+1 -2.214994E+1 --1.500000E-1 -2.202688E+1 -2.200577E+1 -2.195657E+1 -2.194076E+1 -2.217292E+1 -2.217444E+1 --1.700000E-1 -2.202527E+1 -2.200514E+1 -2.196488E+1 -2.194958E+1 -2.217582E+1 -2.218030E+1 --1.900000E-1 -2.202528E+1 -2.202426E+1 -2.196246E+1 -2.196426E+1 -2.217145E+1 -2.217339E+1 diff --git a/tests/datamodel/metainfo/eln/test_solar_cell.py b/tests/datamodel/metainfo/eln/test_solar_cell.py deleted file mode 100644 index e6ba8eccfe..0000000000 --- a/tests/datamodel/metainfo/eln/test_solar_cell.py +++ /dev/null @@ -1,48 +0,0 @@ -# -# Copyright The NOMAD Authors. -# -# This file is part of NOMAD. See https://nomad-lab.eu for further info. -# -# Licensed under the Apache License, Version 2.0 (the "License"); -# you may not use this file except in compliance with the License. -# You may obtain a copy of the License at -# -# http://www.apache.org/licenses/LICENSE-2.0 -# -# Unless required by applicable law or agreed to in writing, software -# distributed under the License is distributed on an "AS IS" BASIS, -# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. -# See the License for the specific language governing permissions and -# limitations under the License. -# - -from tests.normalizing.conftest import run_normalize -from tests.normalizing.conftest import run_processing - - -def test_processing(raw_files_function, no_warn): - directory = 'tests/data/datamodel/metainfo/eln/solar_cells' - mainfile = 'solar_cell.archive.json' - mainfile_schema = 'solar_cell_eln.schema.archive.yaml' - - test_archive_schema = run_processing(directory, mainfile_schema) - run_normalize(test_archive_schema) - - test_archive = run_processing(directory, mainfile) - run_normalize(test_archive) - # assert archive for schema and solar cell entry - assert len(test_archive_schema.definitions.section_definitions) == 1 - assert test_archive_schema.metadata.entry_type == 'Schema' - assert test_archive.metadata.entry_type == 'SolarCell' - assert test_archive.results.properties.optoelectronic.solar_cell.efficiency >= 0 - assert len(test_archive.results.material.chemical_formula_reduced) > 0 - assert ( - len(test_archive.results.properties.optoelectronic.solar_cell.device_stack) > 0 - ) - assert len(test_archive.results.properties.optoelectronic.solar_cell.absorber) > 0 - assert ( - test_archive.results.properties.electronic.band_structure_electronic[0] - .band_gap[0] - .value.magnitude - >= 0 - ) diff --git a/tests/normalizing/test_entry_type_and_name.py b/tests/normalizing/test_entry_type_and_name.py index 05679f1045..c11d002e54 100644 --- a/tests/normalizing/test_entry_type_and_name.py +++ b/tests/normalizing/test_entry_type_and_name.py @@ -28,14 +28,6 @@ def unknown_material_archive(): return run_normalize(archive) -@pytest.fixture(scope='session') -def unknown_workflow_archive(): - directory = 'tests/data/plugins/perovskite_solar_cell_database' - mainfile = 'example.archive.json' - archive = run_processing(directory, mainfile) - return archive - - @pytest.mark.parametrize( 'fixture, entry_type, entry_name', [ @@ -87,12 +79,6 @@ def unknown_workflow_archive(): 'Si not processed SinglePoint simulation', id='Unknown program name', ), - pytest.param( - 'unknown_workflow_archive', - 'PerovskiteSolarCell', - None, - id='Unknown workflow_name', - ), ], ) def test_entry_type_and_name(fixture, entry_type, entry_name, request): diff --git a/tests/plugins/perovskite_solar_cell_database/test_perovskite_database.py b/tests/plugins/perovskite_solar_cell_database/test_perovskite_database.py deleted file mode 100644 index ac9ee8d9cb..0000000000 --- a/tests/plugins/perovskite_solar_cell_database/test_perovskite_database.py +++ /dev/null @@ -1,46 +0,0 @@ -# -# Copyright The NOMAD Authors. -# -# This file is part of NOMAD. See https://nomad-lab.eu for further info. -# -# Licensed under the Apache License, Version 2.0 (the "License"); -# you may not use this file except in compliance with the License. -# You may obtain a copy of the License at -# -# http://www.apache.org/licenses/LICENSE-2.0 -# -# Unless required by applicable law or agreed to in writing, software -# distributed under the License is distributed on an "AS IS" BASIS, -# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. -# See the License for the specific language governing permissions and -# limitations under the License. -# -import os - -from nomad.datamodel.datamodel import EntryArchive -from nomad.datamodel.context import ClientContext -from nomad.utils.exampledata import ExampleData - - -def test_perovskite_solar_cell_plugin_processing( - raw_files_function, no_warn, user1, mongo_function -): - directory = 'tests/data/plugins/perovskite_solar_cell_database' - mainfile = 'example.archive.json' - upload_id = 'test_upload_id' - data = ExampleData(main_author=user1) - data.create_upload(upload_id=upload_id, published=False) - context = ClientContext(local_dir=directory, upload_id=upload_id) - - test_archive = data.create_entry_from_file( - upload_id=upload_id, - mainfile=os.path.join(directory, mainfile), - entry_archive=EntryArchive(m_context=context), - ) - - data.save(with_es=False) - # assert archive - assert test_archive.metadata.entry_type == 'PerovskiteSolarCell' - assert test_archive.results.properties.optoelectronic.solar_cell.efficiency > -1 - assert len(test_archive.results.material.chemical_formula_reduced) > 0 - assert len(test_archive.data.jv.jv_curve[0].current_density) > -1 -- GitLab