From bf653ae749304eafd02b844c5c4b17436518cbc3 Mon Sep 17 00:00:00 2001 From: amkrajewski Date: Wed, 12 Jul 2023 13:35:18 -0700 Subject: [PATCH 01/18] - add a small script converting the Excel dataset into a bare but git-trackable CSV file --- .../pyqalloy-contribute/excel2csv.py | 57 +++++++++++++++++++ 1 file changed, 57 insertions(+) create mode 100644 pyqalloy-contribute/pyqalloy-contribute/excel2csv.py diff --git a/pyqalloy-contribute/pyqalloy-contribute/excel2csv.py b/pyqalloy-contribute/pyqalloy-contribute/excel2csv.py new file mode 100644 index 0000000..87ec643 --- /dev/null +++ b/pyqalloy-contribute/pyqalloy-contribute/excel2csv.py @@ -0,0 +1,57 @@ +#%% +import pandas as pd +import sys +import json + +def convert(datasheet:str): + '''This function converts an PyQAlloy-compliant Excel datasheet into a CSV file for the purpose of + tracking changes in the data collection and curation, while preserving the original template/datasheet + file along with its style and formatting. The CSV file is named after the original datasheet file, with + the extension changed to .csv. The metadata is stored in the first few lines of the CSV file, and the + data is stored in the rest of the file. + + Args: + datasheet: Path to PyQAlloy-compliant Excel datasheet file. + ''' + + #Import metadata + print('Reading the metadata.') + metaDF = pd.read_excel(datasheet, + usecols="A:F", + nrows=4) + meta = metaDF.to_json(orient="split") + metaParsed = json.loads(meta, strict=False)['data'] + + # Format metadata into a dictionary + metaData = { + 'Name': metaParsed[0][1], + 'Email': metaParsed[1][1], + 'Direct Fetched': metaParsed[2][1], + 'Hand Fetched': metaParsed[3][1], + 'Comment': metaParsed[0][5] + } + + # Logging progress into a CSV table + dataFileName = datasheet.replace('.xls', '').replace('.xlsx', '') + + # Import data + print('\nImporting data.') + df2 = pd.read_excel(datasheet, + usecols="A:N", + nrows=20000, + skiprows=8) + result = df2.to_json(orient="records") + parsed = json.loads(result, strict=False) + print('Imported '+str(parsed.__len__())+' datapoints.\n') + + with open(dataFileName+'.csv', 'w+') as outFile: + for line, val in metaData.items(): + outFile.write(line+':,'+str(val)+'\n') + outFile.write('\n') + outFile.write(df2.to_csv(index=False)) + +if __name__ == '__main__': + convert(sys.argv[1]) + + + From 9bc02790c07ce302151d92612cb509df9c5e0113 Mon Sep 17 00:00:00 2001 From: amkrajewski Date: Wed, 12 Jul 2023 13:36:44 -0700 Subject: [PATCH 02/18] - added some minimal requirements --- pyqalloy-contribute/requirements.txt | 2 ++ 1 file changed, 2 insertions(+) create mode 100644 pyqalloy-contribute/requirements.txt diff --git a/pyqalloy-contribute/requirements.txt b/pyqalloy-contribute/requirements.txt new file mode 100644 index 0000000..2f5b8d3 --- /dev/null +++ b/pyqalloy-contribute/requirements.txt @@ -0,0 +1,2 @@ +pandas +openpyxl \ No newline at end of file From 3028ba51ccd5ee89cde83571e2d58b1694d9a5cd Mon Sep 17 00:00:00 2001 From: amkrajewski Date: Wed, 12 Jul 2023 14:01:31 -0700 Subject: [PATCH 03/18] - updated to indicate missing values explicilty and make changes easier in the future --- .../pyqalloy-contribute/excel2csv.py | 44 ++++++++++++++++--- 1 file changed, 38 insertions(+), 6 deletions(-) diff --git a/pyqalloy-contribute/pyqalloy-contribute/excel2csv.py b/pyqalloy-contribute/pyqalloy-contribute/excel2csv.py index 87ec643..f2f21b3 100644 --- a/pyqalloy-contribute/pyqalloy-contribute/excel2csv.py +++ b/pyqalloy-contribute/pyqalloy-contribute/excel2csv.py @@ -2,6 +2,8 @@ import pandas as pd import sys import json +import os +from pprint import pprint def convert(datasheet:str): '''This function converts an PyQAlloy-compliant Excel datasheet into a CSV file for the purpose of @@ -35,23 +37,53 @@ def convert(datasheet:str): dataFileName = datasheet.replace('.xls', '').replace('.xlsx', '') # Import data - print('\nImporting data.') + print('Importing data.') df2 = pd.read_excel(datasheet, usecols="A:N", nrows=20000, skiprows=8) - result = df2.to_json(orient="records") - parsed = json.loads(result, strict=False) - print('Imported '+str(parsed.__len__())+' datapoints.\n') + # Convert the dataset + parsed = df2.to_json(orient="split") + labels = json.loads(parsed, strict=False)['columns'] + data = json.loads(parsed, strict=False)['data'] + print(labels) + print(data) + print('Imported '+str(len(data))+' datapoints.') with open(dataFileName+'.csv', 'w+') as outFile: + # Write the metadata for line, val in metaData.items(): outFile.write(line+':,'+str(val)+'\n') outFile.write('\n') - outFile.write(df2.to_csv(index=False)) + # Write the data + outFile.write(','.join(labels)+'\n') + for line in data: + outFile.write(','.join(str(val) for val in line)+'\n') + + #for line in data: + + print('Successfully converted '+datasheet+' to '+dataFileName+'.csv\n') + +def detectDatasheetsAndConvert(path: str): + '''This function detects all PyQAlloy-compliant Excel datasheets in a directory and converts them into + CSV files. It skips the empty template file (template_v4.xlsx). + + Args: + path: Path to the directory containing PyQAlloy-compliant Excel datasheets. + ''' + + for file in os.listdir(path): + if file.endswith('.xlsx'): + if file not in ['template_v4.xlsx']: + print('Converting '+file) + convert(path+'/'+file) + else: + print('Skipping ' + file) + + if __name__ == '__main__': - convert(sys.argv[1]) + detectDatasheetsAndConvert(sys.argv[1]) From e752ece6711fbf52dfbccc89824eafcbff3780f8 Mon Sep 17 00:00:00 2001 From: amkrajewski Date: Wed, 12 Jul 2023 14:02:41 -0700 Subject: [PATCH 04/18] - code cleanup and formatting --- .../pyqalloy-contribute/excel2csv.py | 32 ++++++++----------- 1 file changed, 13 insertions(+), 19 deletions(-) diff --git a/pyqalloy-contribute/pyqalloy-contribute/excel2csv.py b/pyqalloy-contribute/pyqalloy-contribute/excel2csv.py index f2f21b3..a2e0f4b 100644 --- a/pyqalloy-contribute/pyqalloy-contribute/excel2csv.py +++ b/pyqalloy-contribute/pyqalloy-contribute/excel2csv.py @@ -1,11 +1,11 @@ -#%% +# %% import pandas as pd import sys import json import os -from pprint import pprint -def convert(datasheet:str): + +def convert(datasheet: str): '''This function converts an PyQAlloy-compliant Excel datasheet into a CSV file for the purpose of tracking changes in the data collection and curation, while preserving the original template/datasheet file along with its style and formatting. The CSV file is named after the original datasheet file, with @@ -16,7 +16,7 @@ def convert(datasheet:str): datasheet: Path to PyQAlloy-compliant Excel datasheet file. ''' - #Import metadata + # Import metadata print('Reading the metadata.') metaDF = pd.read_excel(datasheet, usecols="A:F", @@ -46,23 +46,21 @@ def convert(datasheet:str): parsed = df2.to_json(orient="split") labels = json.loads(parsed, strict=False)['columns'] data = json.loads(parsed, strict=False)['data'] - print(labels) - print(data) - print('Imported '+str(len(data))+' datapoints.') - with open(dataFileName+'.csv', 'w+') as outFile: + print('Imported ' + str(len(data)) + ' datapoints.') + + with open(dataFileName + '.csv', 'w+') as outFile: # Write the metadata for line, val in metaData.items(): - outFile.write(line+':,'+str(val)+'\n') + outFile.write(line + ':,' + str(val) + '\n') outFile.write('\n') # Write the data - outFile.write(','.join(labels)+'\n') + outFile.write(','.join(labels) + '\n') for line in data: - outFile.write(','.join(str(val) for val in line)+'\n') + outFile.write(','.join(str(val) for val in line) + '\n') - #for line in data: + print('Successfully converted ' + datasheet + ' to ' + dataFileName + '.csv\n') - print('Successfully converted '+datasheet+' to '+dataFileName+'.csv\n') def detectDatasheetsAndConvert(path: str): '''This function detects all PyQAlloy-compliant Excel datasheets in a directory and converts them into @@ -75,15 +73,11 @@ def detectDatasheetsAndConvert(path: str): for file in os.listdir(path): if file.endswith('.xlsx'): if file not in ['template_v4.xlsx']: - print('Converting '+file) - convert(path+'/'+file) + print('Converting ' + file) + convert(path + '/' + file) else: print('Skipping ' + file) - if __name__ == '__main__': detectDatasheetsAndConvert(sys.argv[1]) - - - From bb4b4555476dcb3bad7b480139e5a40df0f87ef2 Mon Sep 17 00:00:00 2001 From: amkrajewski Date: Wed, 12 Jul 2023 14:16:46 -0700 Subject: [PATCH 05/18] - test - GitHub Action to convert from Excel to CSV after every commit to the repository --- .github/workflows/excel2csv.yml | 32 ++++++++++++++++++++++++++++++++ 1 file changed, 32 insertions(+) create mode 100644 .github/workflows/excel2csv.yml diff --git a/.github/workflows/excel2csv.yml b/.github/workflows/excel2csv.yml new file mode 100644 index 0000000..9a2bd61 --- /dev/null +++ b/.github/workflows/excel2csv.yml @@ -0,0 +1,32 @@ +name: excel2csv + +on: [push] + +jobs: + run: + name: excel2csv + runs-on: ubuntu-latest + steps: + - name: Checkout repository + uses: actions/checkout@v3 + + - name: Set up Python 3.10 + uses: actions/setup-python@v4 + with: + python-version: '3.10' + cache: 'pip' + cache-dependency-path: 'pyqalloy-contribute/requirements.txt' + + - name: Install Dependencies + run: | + python -m pip install -r pyqalloy-contribute/requirements.txt + + - name: Run excel2csv + run: | + python pyqalloy-contribute/pyqalloy-contribute/excel2csv.py . + + - name: Commit changes with Add & Commit + uses: EndBug/add-and-commit@v9 + with: + message: Show GitHub Actions logo + add: '*.csv' \ No newline at end of file From f67b3a74f5c31e2dfd0f083b53ddf8143ee0c28d Mon Sep 17 00:00:00 2001 From: amkrajewski Date: Wed, 12 Jul 2023 21:17:26 +0000 Subject: [PATCH 06/18] Show GitHub Actions logo --- templateSampleFilled4x.csv | 17 +++++++++++++++++ 1 file changed, 17 insertions(+) create mode 100644 templateSampleFilled4x.csv diff --git a/templateSampleFilled4x.csv b/templateSampleFilled4x.csv new file mode 100644 index 0000000..03b4943 --- /dev/null +++ b/templateSampleFilled4x.csv @@ -0,0 +1,17 @@ +Name:,Happy Researcher +Email:,happy@psu.edu +Direct Fetched:,T +Hand Fetched:,T +Comment:,None + +id/nickname,Composition,Structure,Processing,Material Comment,Name,Source,Property Parameters,Temperature [K],Value [SI],Uncertainty [SI],Unit [SI],Pointer,DOI +1,Fe60 Ni20 Cr10 Zr10 ,BCC+FCC,HIP+A,None,UTS,EXP,None,298.0,750000000.0,25000000.0,Pa,T7,10.1557/jmr.2018.153 +2,Fe60 Ni10 Cr20 Zr10,BCC+FCC,HIP+A,None,UTS,EXP,None,298.0,650000000.0,25000000.0,Pa,T7,10.1557/jmr.2018.153 +3,Fe60 Ni10 Cr10 Zr20,3BCC+MC,HIP+A,None,UTS,EXP,None,298.0,700000000.0,25000000.0,Pa,T7,10.1557/jmr.2018.153 +4,Fe25 Ni25 Cr25 Zr25,BCT+laves,HIP+A,None,UTS,EXP,None,298.0,550000000.0,25000000.0,Pa,T7,10.1557/jmr.2018.153 +5,FeNiCrZr,BCC,AC,None,UTS,ML,None,298.0,580000000.0,50000000.0,Pa,T7,10.1557/jmr.2018.153 +6,Ti0.1 (ZrHfNb)0.3,FCC,AC,None,UTS,EMP,None,298.0,400000000.0,10000000.0,Pa,F4,10.1557/jmr.2018.154 +7,Fe0.60 Ni0.10 Cr0.10 Zr0.20,BCC+2?,SPS,None,UTS,THM,None,298.0,670000000.0,50000000.0,Pa,F4,10.1557/jmr.2018.155 +8,FeNiCrZr,?,AC,cast from 2000K,CreepRate,ML,MaxStress 80e6 Pa,298.0,1.23e-06,1e-08,s-1,T1,Sun_2022_CreepRatePredictions +9,W90 Mo5 Ti5,3?+laves,SPS,None,None,None,None,None,None,None,None,None,None +10,W100,?,SPS,None,None,None,None,None,None,None,None,None,None From 1079e541a1dcde09f28f19edc151d855a389c7fa Mon Sep 17 00:00:00 2001 From: amkrajewski Date: Wed, 12 Jul 2023 14:25:30 -0700 Subject: [PATCH 07/18] - changed some sample template values for the testing purposes --- 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a/templateSampleFilled4x.csv +++ b/templateSampleFilled4x.csv @@ -5,13 +5,13 @@ Hand Fetched:,T Comment:,None id/nickname,Composition,Structure,Processing,Material Comment,Name,Source,Property Parameters,Temperature [K],Value [SI],Uncertainty [SI],Unit [SI],Pointer,DOI -1,Fe60 Ni20 Cr10 Zr10 ,BCC+FCC,HIP+A,None,UTS,EXP,None,298.0,750000000.0,25000000.0,Pa,T7,10.1557/jmr.2018.153 -2,Fe60 Ni10 Cr20 Zr10,BCC+FCC,HIP+A,None,UTS,EXP,None,298.0,650000000.0,25000000.0,Pa,T7,10.1557/jmr.2018.153 -3,Fe60 Ni10 Cr10 Zr20,3BCC+MC,HIP+A,None,UTS,EXP,None,298.0,700000000.0,25000000.0,Pa,T7,10.1557/jmr.2018.153 -4,Fe25 Ni25 Cr25 Zr25,BCT+laves,HIP+A,None,UTS,EXP,None,298.0,550000000.0,25000000.0,Pa,T7,10.1557/jmr.2018.153 -5,FeNiCrZr,BCC,AC,None,UTS,ML,None,298.0,580000000.0,50000000.0,Pa,T7,10.1557/jmr.2018.153 -6,Ti0.1 (ZrHfNb)0.3,FCC,AC,None,UTS,EMP,None,298.0,400000000.0,10000000.0,Pa,F4,10.1557/jmr.2018.154 -7,Fe0.60 Ni0.10 Cr0.10 Zr0.20,BCC+2?,SPS,None,UTS,THM,None,298.0,670000000.0,50000000.0,Pa,F4,10.1557/jmr.2018.155 +1,Fe60 Ni20 Cr10 Zr10 ,BCC+FCC,HIP+A,annealed for 48h at 1600K,UTS,EXP,None,298.0,750000000.0,25000000.0,Pa,T7,10.1557/jmr.2018.153 +2,Fe60 Ni10 Cr20 Zr10,BCC+FCC,HIP+A,annealed for 48h at 1600K,UTS,EXP,None,298.0,650000000.0,25000000.0,Pa,T7,10.1557/jmr.2018.153 +3,Fe60 Ni10 Cr10 Zr20,3BCC+MC,HIP+A,annealed for 48h at 1600K,UTS,EXP,None,298.0,700000000.0,25000000.0,Pa,T7,10.1557/jmr.2018.153 +4,Fe25 Ni25 Cr25 Zr25,BCT+laves,HIP+A,annealed for 48h at 1600K,UTS,EXP,None,298.0,550000000.0,25000000.0,Pa,T7,10.1557/jmr.2018.153 +5,FeNiCrZr,BCC,AC,None,UTS,ML,UTS_Arindam_v0.7.4,298.0,580000000.0,None,Pa,T7,10.1557/jmr.2018.153 +6,Ti0.1 (ZrHfNb)0.3,FCC,AC,None,UTS,EMP,None,298.0,400000000.0,10000000.0,Pa,None,None +7,Fe0.60 Ni0.10 Cr0.10 Zr0.20,BCC+2?,SPS,None,UTS,THM,None,298.0,670000000.0,50000000.0,Pa,F4,10.1557/jmr.2018.153 8,FeNiCrZr,?,AC,cast from 2000K,CreepRate,ML,MaxStress 80e6 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+id/nickname,Composition,Structure,Processing,Material Comment,Name,Source,Property Parameters,Temperature [K],Value [SI],Uncertainty [SI],Unit [SI],Pointer,DOI +1,Fe60 Ni20 Cr10 Zr10 ,BCC+FCC,HIP+A,annealed for 48h at 1600K,UTS,EXP,None,298.0,750000000.0,25000000.0,Pa,T7,10.1557/jmr.2018.153 +2,Fe60 Ni10 Cr20 Zr10,BCC+FCC,HIP+A,annealed for 48h at 1600K,UTS,EXP,None,298.0,650000000.0,25000000.0,Pa,T7,10.1557/jmr.2018.153 +3,Fe60 Ni10 Cr10 Zr20,3BCC+MC,HIP+A,annealed for 48h at 1600K,UTS,EXP,None,298.0,700000000.0,25000000.0,Pa,T7,10.1557/jmr.2018.153 +4,Fe25 Ni25 Cr25 Zr25,BCT+laves,HIP+A,annealed for 48h at 1600K,UTS,EXP,None,298.0,550000000.0,25000000.0,Pa,T7,10.1557/jmr.2018.153 +5,FeNiCrZr,BCC,AC,None,UTS,ML,UTS_Arindam_v0.7.4,298.0,580000000.0,None,Pa,T7,10.1557/jmr.2018.153 +6,Ti0.1 (ZrHfNb)0.3,FCC,AC,None,UTS,EMP,None,298.0,400000000.0,10000000.0,Pa,None,None +7,Fe0.60 Ni0.10 Cr0.10 Zr0.20,BCC+2?,SPS,None,UTS,THM,None,298.0,670000000.0,50000000.0,Pa,F4,10.1557/jmr.2018.153 +8,FeNiCrZr,?,AC,cast from 2000K,CreepRate,ML,MaxStress 80e6 Pa,298.0,1.23e-06,1e-08,s-1,T1,Sun_2022_CreepRatePredictions +9,W90 Mo5 Ti5,3?+laves,SPS,None,None,None,None,None,None,None,None,None,Lin_2023_SomeNicePaper +10,HfMoNbZrTiCrAlW,BCC+?+?+?,SPS,None,None,None,None,None,None,None,None,None,Lin_2023_SomeNicePaper +MPEA-1,CoCrFeNi,FCC,AC,all YS recorded as +1 MPa grain size:150-200micrometers,tensile ductility,EXP,None,298.0,48.0,None,None,None,10.1016/j.intermet.2015.01.004 +MPEA-2,CoCrFeNiMo0.2,FCC,A,None,tensile ductility,EXP,None,298.0,47.0,None,None,None,10.3390/e21050448 +MPEA-3,CoNiFe,FCC,CW+A,fixed elongation grain size:74micrometers,tensile ductility,EXP,None,298.0,47.0,None,None,None,10.1016/j.intermet.2019.106477 +MPEA-4,FeCrCoMnNi,FCC,CW + A, grain size:8micrometers,tensile ductility,EXP,None,298.0,47.0,None,None,None,10.1016/j.msea.2019.04.025 +MPEA-5,Co20.6Cr19.9Fe19.5Ni20.9Mn19.1,FCC,CW+A,fixed grain size; wrong unit grain size:17.1micrometers,tensile ductility,EXP,None,298.0,60.5,None,None,None,10.1016/j.msea.2019.01.112 +MPEA-6,FeCoNiCrTi0.2,FCC,CW + A,missed the ductility values, incorrect processing (from AC to CW + A), grain size to 51,tensile ductility,EXP,None,77.0,46.0,None,None,None,10.1016/j.actamat.2018.11.049 +SomeID-1,Ti30 Zr30 Hf16 Nb24,BCC,AC,None,tensile yield strength,EXP,None,298.0,720000000.0,None,Pa,F6,10.1016/j.actamat.2023.118728 +SomeID-2,Ti30 Zr30 Hf16 Nb24,BCC+BCC,AC+CR+A,20min at 900*C, nanoprecipitate strenghtening (see paper),tensile yield strength,EXP,None,298.0,800000000.0,None,Pa,F6,10.1016/j.actamat.2023.118728 +SomeID-3,Ti30 Zr30 Hf16 Nb24,BCC,AC+CR+A+A,20min at 900*C + 200h at 600*C,tensile yield strength,EXP,None,298.0,730000000.0,None,Pa,F6,10.1016/j.actamat.2023.118728 +SomeID-4,Ti30 Zr30 Hf16 Nb24,BCC,AC,None,tensile ductility,EXP,None,298.0,22.4,None,%,F6,10.1016/j.actamat.2023.118728 +SomeID-5,Ti30 Zr30 Hf16 Nb24,BCC+BCC,AC+CR+A,20min at 900*C, nanoprecipitate strenghtening (see paper),tensile ductility,EXP,None,298.0,34.0,None,%,F6,10.1016/j.actamat.2023.118728 +SomeID-6,Ti30 Zr30 Hf16 Nb24,BCC,AC+CR+A+A,20min at 900*C + 200h at 600*C,tensile ductility,EXP,None,298.0,25.6,None,%,F6,10.1016/j.actamat.2023.118728 From 00b6fcfd69fb228f398c0c1d0bd06bd1115e6366 Mon Sep 17 00:00:00 2001 From: amkrajewski Date: Wed, 12 Jul 2023 15:28:15 -0700 Subject: [PATCH 14/18] - small improvement in the automated converter commit message --- .github/workflows/excel2csv.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/.github/workflows/excel2csv.yml b/.github/workflows/excel2csv.yml index 6d770ca..a85477b 100644 --- a/.github/workflows/excel2csv.yml +++ b/.github/workflows/excel2csv.yml @@ -28,5 +28,5 @@ jobs: - name: Commit changes with Add & Commit uses: EndBug/add-and-commit@v9 with: - message: 'Excel2CSV Action for Data Tracking' + message: '(automatic) excel2csv Action for Data Tracking' add: '*.csv' \ No newline at end of file From 1fc5b8b7f399315354bfbd3d717a35c8687ac9fb Mon Sep 17 00:00:00 2001 From: amkrajewski Date: Wed, 12 Jul 2023 15:29:13 -0700 Subject: [PATCH 15/18] - small aesthetic bugfix in the CSV file namer that added 'x' at the end if xlsx was used --- pyqalloy-contribute/pyqalloy-contribute/excel2csv.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/pyqalloy-contribute/pyqalloy-contribute/excel2csv.py b/pyqalloy-contribute/pyqalloy-contribute/excel2csv.py index a2e0f4b..39b7d56 100644 --- a/pyqalloy-contribute/pyqalloy-contribute/excel2csv.py +++ b/pyqalloy-contribute/pyqalloy-contribute/excel2csv.py @@ -34,7 +34,7 @@ def convert(datasheet: str): } # Logging progress into a CSV table - dataFileName = datasheet.replace('.xls', '').replace('.xlsx', '') + dataFileName = datasheet.replace('.xlsx', '').replace('.xls', '') # Import data print('Importing data.') From 6ada8cf245a73ae2b1da5e6701ab3963155e9263 Mon Sep 17 00:00:00 2001 From: amkrajewski Date: Wed, 12 Jul 2023 22:31:33 +0000 Subject: [PATCH 16/18] (automatic) excel2csv Action for Data Tracking --- template_v4_DatasetExample.csv | 29 +++++++++++++++++++++++++++++ 1 file changed, 29 insertions(+) create mode 100644 template_v4_DatasetExample.csv diff --git a/template_v4_DatasetExample.csv b/template_v4_DatasetExample.csv new file mode 100644 index 0000000..264260b --- /dev/null +++ b/template_v4_DatasetExample.csv @@ -0,0 +1,29 @@ +Name:,Happy Researcher +Email:,happy@psu.edu +Direct Fetched:,T +Hand Fetched:,T +Comment:,None + +id/nickname,Composition,Structure,Processing,Material Comment,Name,Source,Property Parameters,Temperature [K],Value [SI],Uncertainty [SI],Unit [SI],Pointer,DOI +1,Fe60 Ni20 Cr10 Zr10 ,BCC+FCC,HIP+A,annealed for 48h at 1600K,UTS,EXP,None,298.0,750000000.0,25000000.0,Pa,T7,10.1557/jmr.2018.153 +2,Fe60 Ni10 Cr20 Zr10,BCC+FCC,HIP+A,annealed for 48h at 1600K,UTS,EXP,None,298.0,650000000.0,25000000.0,Pa,T7,10.1557/jmr.2018.153 +3,Fe60 Ni10 Cr10 Zr20,3BCC+MC,HIP+A,annealed for 48h at 1600K,UTS,EXP,None,298.0,700000000.0,25000000.0,Pa,T7,10.1557/jmr.2018.153 +4,Fe25 Ni25 Cr25 Zr25,BCT+laves,HIP+A,annealed for 48h at 1600K,UTS,EXP,None,298.0,550000000.0,25000000.0,Pa,T7,10.1557/jmr.2018.153 +5,FeNiCrZr,BCC,AC,None,UTS,ML,UTS_Arindam_v0.7.4,298.0,580000000.0,None,Pa,T7,10.1557/jmr.2018.153 +6,Ti0.1 (ZrHfNb)0.3,FCC,AC,None,UTS,EMP,None,298.0,400000000.0,10000000.0,Pa,None,None +7,Fe0.60 Ni0.10 Cr0.10 Zr0.20,BCC+2?,SPS,None,UTS,THM,None,298.0,670000000.0,50000000.0,Pa,F4,10.1557/jmr.2018.153 +8,FeNiCrZr,?,AC,cast from 2000K,CreepRate,ML,MaxStress 80e6 Pa,298.0,1.23e-06,1e-08,s-1,T1,Sun_2022_CreepRatePredictions +9,W90 Mo5 Ti5,3?+laves,SPS,None,None,None,None,None,None,None,None,None,Lin_2023_SomeNicePaper +10,HfMoNbZrTiCrAlW,BCC+?+?+?,SPS,None,None,None,None,None,None,None,None,None,Lin_2023_SomeNicePaper +MPEA-1,CoCrFeNi,FCC,AC,all YS recorded as +1 MPa grain size:150-200micrometers,tensile ductility,EXP,None,298.0,48.0,None,None,None,10.1016/j.intermet.2015.01.004 +MPEA-2,CoCrFeNiMo0.2,FCC,A,None,tensile ductility,EXP,None,298.0,47.0,None,None,None,10.3390/e21050448 +MPEA-3,CoNiFe,FCC,CW+A,fixed elongation grain size:74micrometers,tensile ductility,EXP,None,298.0,47.0,None,None,None,10.1016/j.intermet.2019.106477 +MPEA-4,FeCrCoMnNi,FCC,CW + A, grain size:8micrometers,tensile ductility,EXP,None,298.0,47.0,None,None,None,10.1016/j.msea.2019.04.025 +MPEA-5,Co20.6Cr19.9Fe19.5Ni20.9Mn19.1,FCC,CW+A,fixed grain size; wrong unit grain size:17.1micrometers,tensile ductility,EXP,None,298.0,60.5,None,None,None,10.1016/j.msea.2019.01.112 +MPEA-6,FeCoNiCrTi0.2,FCC,CW + A,missed the ductility values, incorrect processing (from AC to CW + A), grain size to 51,tensile ductility,EXP,None,77.0,46.0,None,None,None,10.1016/j.actamat.2018.11.049 +SomeID-1,Ti30 Zr30 Hf16 Nb24,BCC,AC,None,tensile yield strength,EXP,None,298.0,720000000.0,None,Pa,F6,10.1016/j.actamat.2023.118728 +SomeID-2,Ti30 Zr30 Hf16 Nb24,BCC+BCC,AC+CR+A,20min at 900*C, nanoprecipitate strenghtening (see paper),tensile yield strength,EXP,None,298.0,800000000.0,None,Pa,F6,10.1016/j.actamat.2023.118728 +SomeID-3,Ti30 Zr30 Hf16 Nb24,BCC,AC+CR+A+A,20min at 900*C + 200h at 600*C,tensile yield strength,EXP,None,298.0,730000000.0,None,Pa,F6,10.1016/j.actamat.2023.118728 +SomeID-4,Ti30 Zr30 Hf16 Nb24,BCC,AC,None,tensile ductility,EXP,None,298.0,22.4,None,%,F6,10.1016/j.actamat.2023.118728 +SomeID-5,Ti30 Zr30 Hf16 Nb24,BCC+BCC,AC+CR+A,20min at 900*C, nanoprecipitate strenghtening (see paper),tensile ductility,EXP,None,298.0,34.0,None,%,F6,10.1016/j.actamat.2023.118728 +SomeID-6,Ti30 Zr30 Hf16 Nb24,BCC,AC+CR+A+A,20min at 900*C + 200h at 600*C,tensile ductility,EXP,None,298.0,25.6,None,%,F6,10.1016/j.actamat.2023.118728 From 2e08997fda73212fa237072732d538fbb4d6862c Mon Sep 17 00:00:00 2001 From: amkrajewski Date: Wed, 12 Jul 2023 15:34:24 -0700 Subject: [PATCH 17/18] - cleanup after testing on the filled example template --- templateSampleFilled4x.csv | 17 ----------------- template_v4_DatasetExample.csv | 29 ----------------------------- template_v4_DatasetExamplex.csv | 29 ----------------------------- 3 files changed, 75 deletions(-) delete mode 100644 templateSampleFilled4x.csv delete mode 100644 template_v4_DatasetExample.csv delete mode 100644 template_v4_DatasetExamplex.csv diff --git a/templateSampleFilled4x.csv b/templateSampleFilled4x.csv deleted file mode 100644 index 7ee9c65..0000000 --- a/templateSampleFilled4x.csv +++ /dev/null @@ -1,17 +0,0 @@ -Name:,Happy Researcher -Email:,happy@psu.edu -Direct Fetched:,T -Hand Fetched:,T -Comment:,None - -id/nickname,Composition,Structure,Processing,Material Comment,Name,Source,Property Parameters,Temperature [K],Value [SI],Uncertainty [SI],Unit [SI],Pointer,DOI -1,Fe60 Ni20 Cr10 Zr10 ,BCC+FCC,HIP+A,annealed for 48h at 1600K,UTS,EXP,None,298.0,750000000.0,25000000.0,Pa,T7,10.1557/jmr.2018.153 -2,Fe60 Ni10 Cr20 Zr10,BCC+FCC,HIP+A,annealed for 48h at 1600K,UTS,EXP,None,298.0,650000000.0,25000000.0,Pa,T7,10.1557/jmr.2018.153 -3,Fe60 Ni10 Cr10 Zr20,3BCC+MC,HIP+A,annealed for 48h at 1600K,UTS,EXP,None,298.0,700000000.0,25000000.0,Pa,T7,10.1557/jmr.2018.153 -4,Fe25 Ni25 Cr25 Zr25,BCT+laves,HIP+A,annealed for 48h at 1600K,UTS,EXP,None,298.0,550000000.0,25000000.0,Pa,T7,10.1557/jmr.2018.153 -5,FeNiCrZr,BCC,AC,None,UTS,ML,UTS_Arindam_v0.7.4,298.0,580000000.0,None,Pa,T7,10.1557/jmr.2018.153 -6,Ti0.1 (ZrHfNb)0.3,FCC,AC,None,UTS,EMP,None,298.0,400000000.0,10000000.0,Pa,None,None -7,Fe0.60 Ni0.10 Cr0.10 Zr0.20,BCC+2?,SPS,None,UTS,THM,None,298.0,670000000.0,50000000.0,Pa,F4,10.1557/jmr.2018.153 -8,FeNiCrZr,?,AC,cast from 2000K,CreepRate,ML,MaxStress 80e6 Pa,298.0,1.23e-06,1e-08,s-1,T1,Sun_2022_CreepRatePredictions -9,W90 Mo5 Ti5,3?+laves,SPS,None,None,None,None,None,None,None,None,None,None -10,HfMoNbZrTiCrAlW,BCC+?+?+?,SPS,None,None,None,None,None,None,None,None,None,None diff --git a/template_v4_DatasetExample.csv b/template_v4_DatasetExample.csv deleted file mode 100644 index 264260b..0000000 --- a/template_v4_DatasetExample.csv +++ /dev/null @@ -1,29 +0,0 @@ -Name:,Happy Researcher -Email:,happy@psu.edu -Direct Fetched:,T -Hand Fetched:,T -Comment:,None - -id/nickname,Composition,Structure,Processing,Material Comment,Name,Source,Property Parameters,Temperature [K],Value [SI],Uncertainty [SI],Unit [SI],Pointer,DOI -1,Fe60 Ni20 Cr10 Zr10 ,BCC+FCC,HIP+A,annealed for 48h at 1600K,UTS,EXP,None,298.0,750000000.0,25000000.0,Pa,T7,10.1557/jmr.2018.153 -2,Fe60 Ni10 Cr20 Zr10,BCC+FCC,HIP+A,annealed for 48h at 1600K,UTS,EXP,None,298.0,650000000.0,25000000.0,Pa,T7,10.1557/jmr.2018.153 -3,Fe60 Ni10 Cr10 Zr20,3BCC+MC,HIP+A,annealed for 48h at 1600K,UTS,EXP,None,298.0,700000000.0,25000000.0,Pa,T7,10.1557/jmr.2018.153 -4,Fe25 Ni25 Cr25 Zr25,BCT+laves,HIP+A,annealed for 48h at 1600K,UTS,EXP,None,298.0,550000000.0,25000000.0,Pa,T7,10.1557/jmr.2018.153 -5,FeNiCrZr,BCC,AC,None,UTS,ML,UTS_Arindam_v0.7.4,298.0,580000000.0,None,Pa,T7,10.1557/jmr.2018.153 -6,Ti0.1 (ZrHfNb)0.3,FCC,AC,None,UTS,EMP,None,298.0,400000000.0,10000000.0,Pa,None,None -7,Fe0.60 Ni0.10 Cr0.10 Zr0.20,BCC+2?,SPS,None,UTS,THM,None,298.0,670000000.0,50000000.0,Pa,F4,10.1557/jmr.2018.153 -8,FeNiCrZr,?,AC,cast from 2000K,CreepRate,ML,MaxStress 80e6 Pa,298.0,1.23e-06,1e-08,s-1,T1,Sun_2022_CreepRatePredictions -9,W90 Mo5 Ti5,3?+laves,SPS,None,None,None,None,None,None,None,None,None,Lin_2023_SomeNicePaper -10,HfMoNbZrTiCrAlW,BCC+?+?+?,SPS,None,None,None,None,None,None,None,None,None,Lin_2023_SomeNicePaper -MPEA-1,CoCrFeNi,FCC,AC,all YS recorded as +1 MPa grain size:150-200micrometers,tensile ductility,EXP,None,298.0,48.0,None,None,None,10.1016/j.intermet.2015.01.004 -MPEA-2,CoCrFeNiMo0.2,FCC,A,None,tensile ductility,EXP,None,298.0,47.0,None,None,None,10.3390/e21050448 -MPEA-3,CoNiFe,FCC,CW+A,fixed elongation grain size:74micrometers,tensile ductility,EXP,None,298.0,47.0,None,None,None,10.1016/j.intermet.2019.106477 -MPEA-4,FeCrCoMnNi,FCC,CW + A, grain size:8micrometers,tensile ductility,EXP,None,298.0,47.0,None,None,None,10.1016/j.msea.2019.04.025 -MPEA-5,Co20.6Cr19.9Fe19.5Ni20.9Mn19.1,FCC,CW+A,fixed grain size; wrong unit grain size:17.1micrometers,tensile ductility,EXP,None,298.0,60.5,None,None,None,10.1016/j.msea.2019.01.112 -MPEA-6,FeCoNiCrTi0.2,FCC,CW + A,missed the ductility values, incorrect processing (from AC to CW + A), grain size to 51,tensile ductility,EXP,None,77.0,46.0,None,None,None,10.1016/j.actamat.2018.11.049 -SomeID-1,Ti30 Zr30 Hf16 Nb24,BCC,AC,None,tensile yield strength,EXP,None,298.0,720000000.0,None,Pa,F6,10.1016/j.actamat.2023.118728 -SomeID-2,Ti30 Zr30 Hf16 Nb24,BCC+BCC,AC+CR+A,20min at 900*C, nanoprecipitate strenghtening (see paper),tensile yield strength,EXP,None,298.0,800000000.0,None,Pa,F6,10.1016/j.actamat.2023.118728 -SomeID-3,Ti30 Zr30 Hf16 Nb24,BCC,AC+CR+A+A,20min at 900*C + 200h at 600*C,tensile yield strength,EXP,None,298.0,730000000.0,None,Pa,F6,10.1016/j.actamat.2023.118728 -SomeID-4,Ti30 Zr30 Hf16 Nb24,BCC,AC,None,tensile ductility,EXP,None,298.0,22.4,None,%,F6,10.1016/j.actamat.2023.118728 -SomeID-5,Ti30 Zr30 Hf16 Nb24,BCC+BCC,AC+CR+A,20min at 900*C, nanoprecipitate strenghtening (see paper),tensile ductility,EXP,None,298.0,34.0,None,%,F6,10.1016/j.actamat.2023.118728 -SomeID-6,Ti30 Zr30 Hf16 Nb24,BCC,AC+CR+A+A,20min at 900*C + 200h at 600*C,tensile ductility,EXP,None,298.0,25.6,None,%,F6,10.1016/j.actamat.2023.118728 diff --git a/template_v4_DatasetExamplex.csv b/template_v4_DatasetExamplex.csv deleted file mode 100644 index 264260b..0000000 --- a/template_v4_DatasetExamplex.csv +++ /dev/null @@ -1,29 +0,0 @@ -Name:,Happy Researcher -Email:,happy@psu.edu -Direct Fetched:,T -Hand Fetched:,T -Comment:,None - -id/nickname,Composition,Structure,Processing,Material Comment,Name,Source,Property Parameters,Temperature [K],Value [SI],Uncertainty [SI],Unit [SI],Pointer,DOI -1,Fe60 Ni20 Cr10 Zr10 ,BCC+FCC,HIP+A,annealed for 48h at 1600K,UTS,EXP,None,298.0,750000000.0,25000000.0,Pa,T7,10.1557/jmr.2018.153 -2,Fe60 Ni10 Cr20 Zr10,BCC+FCC,HIP+A,annealed for 48h at 1600K,UTS,EXP,None,298.0,650000000.0,25000000.0,Pa,T7,10.1557/jmr.2018.153 -3,Fe60 Ni10 Cr10 Zr20,3BCC+MC,HIP+A,annealed for 48h at 1600K,UTS,EXP,None,298.0,700000000.0,25000000.0,Pa,T7,10.1557/jmr.2018.153 -4,Fe25 Ni25 Cr25 Zr25,BCT+laves,HIP+A,annealed for 48h at 1600K,UTS,EXP,None,298.0,550000000.0,25000000.0,Pa,T7,10.1557/jmr.2018.153 -5,FeNiCrZr,BCC,AC,None,UTS,ML,UTS_Arindam_v0.7.4,298.0,580000000.0,None,Pa,T7,10.1557/jmr.2018.153 -6,Ti0.1 (ZrHfNb)0.3,FCC,AC,None,UTS,EMP,None,298.0,400000000.0,10000000.0,Pa,None,None -7,Fe0.60 Ni0.10 Cr0.10 Zr0.20,BCC+2?,SPS,None,UTS,THM,None,298.0,670000000.0,50000000.0,Pa,F4,10.1557/jmr.2018.153 -8,FeNiCrZr,?,AC,cast from 2000K,CreepRate,ML,MaxStress 80e6 Pa,298.0,1.23e-06,1e-08,s-1,T1,Sun_2022_CreepRatePredictions -9,W90 Mo5 Ti5,3?+laves,SPS,None,None,None,None,None,None,None,None,None,Lin_2023_SomeNicePaper -10,HfMoNbZrTiCrAlW,BCC+?+?+?,SPS,None,None,None,None,None,None,None,None,None,Lin_2023_SomeNicePaper -MPEA-1,CoCrFeNi,FCC,AC,all YS recorded as +1 MPa grain size:150-200micrometers,tensile ductility,EXP,None,298.0,48.0,None,None,None,10.1016/j.intermet.2015.01.004 -MPEA-2,CoCrFeNiMo0.2,FCC,A,None,tensile ductility,EXP,None,298.0,47.0,None,None,None,10.3390/e21050448 -MPEA-3,CoNiFe,FCC,CW+A,fixed elongation grain size:74micrometers,tensile ductility,EXP,None,298.0,47.0,None,None,None,10.1016/j.intermet.2019.106477 -MPEA-4,FeCrCoMnNi,FCC,CW + A, grain size:8micrometers,tensile ductility,EXP,None,298.0,47.0,None,None,None,10.1016/j.msea.2019.04.025 -MPEA-5,Co20.6Cr19.9Fe19.5Ni20.9Mn19.1,FCC,CW+A,fixed grain size; wrong unit grain size:17.1micrometers,tensile ductility,EXP,None,298.0,60.5,None,None,None,10.1016/j.msea.2019.01.112 -MPEA-6,FeCoNiCrTi0.2,FCC,CW + A,missed the ductility values, incorrect processing (from AC to CW + A), grain size to 51,tensile ductility,EXP,None,77.0,46.0,None,None,None,10.1016/j.actamat.2018.11.049 -SomeID-1,Ti30 Zr30 Hf16 Nb24,BCC,AC,None,tensile yield strength,EXP,None,298.0,720000000.0,None,Pa,F6,10.1016/j.actamat.2023.118728 -SomeID-2,Ti30 Zr30 Hf16 Nb24,BCC+BCC,AC+CR+A,20min at 900*C, nanoprecipitate strenghtening (see paper),tensile yield strength,EXP,None,298.0,800000000.0,None,Pa,F6,10.1016/j.actamat.2023.118728 -SomeID-3,Ti30 Zr30 Hf16 Nb24,BCC,AC+CR+A+A,20min at 900*C + 200h at 600*C,tensile yield strength,EXP,None,298.0,730000000.0,None,Pa,F6,10.1016/j.actamat.2023.118728 -SomeID-4,Ti30 Zr30 Hf16 Nb24,BCC,AC,None,tensile ductility,EXP,None,298.0,22.4,None,%,F6,10.1016/j.actamat.2023.118728 -SomeID-5,Ti30 Zr30 Hf16 Nb24,BCC+BCC,AC+CR+A,20min at 900*C, nanoprecipitate strenghtening (see paper),tensile ductility,EXP,None,298.0,34.0,None,%,F6,10.1016/j.actamat.2023.118728 -SomeID-6,Ti30 Zr30 Hf16 Nb24,BCC,AC+CR+A+A,20min at 900*C + 200h at 600*C,tensile ductility,EXP,None,298.0,25.6,None,%,F6,10.1016/j.actamat.2023.118728 From 09d3e967e23ea6dda2047abb423c796143751166 Mon Sep 17 00:00:00 2001 From: amkrajewski Date: Wed, 12 Jul 2023 15:34:51 -0700 Subject: [PATCH 18/18] - skip the filled template example during conversion --- pyqalloy-contribute/pyqalloy-contribute/excel2csv.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/pyqalloy-contribute/pyqalloy-contribute/excel2csv.py b/pyqalloy-contribute/pyqalloy-contribute/excel2csv.py index 39b7d56..f43396b 100644 --- a/pyqalloy-contribute/pyqalloy-contribute/excel2csv.py +++ b/pyqalloy-contribute/pyqalloy-contribute/excel2csv.py @@ -72,7 +72,7 @@ def detectDatasheetsAndConvert(path: str): for file in os.listdir(path): if file.endswith('.xlsx'): - if file not in ['template_v4.xlsx']: + if file not in ['template_v4.xlsx', 'template_v4_DatasetExample.xlsx']: print('Converting ' + file) convert(path + '/' + file) else: