Index

C

calculate_KS2022() (pysipfenn.Calculator method), [1] calculate_KS2022_dilute() (pysipfenn.Calculator method), [1] calculate_Ward2017() (pysipfenn.Calculator method), [1]

Calculator (class in pysipfenn), [1] cite() (in module pysipfenn.descriptorDefinitions.KS2022) (in module pysipfenn.descriptorDefinitions.KS2022_dilute) (in module pysipfenn.descriptorDefinitions.Ward2017)

D

descriptorData (pysipfenn.Calculator attribute), [1]

downloadModels() (pysipfenn.Calculator method), [1] downloadModels_legacyMxNet() (pysipfenn.Calculator method), [1]

F

findCompatibleModels() (pysipfenn.Calculator method), [1]

findDilute() (in module pysipfenn.descriptorDefinitions.KS2022_dilute)

G

generate_descriptor() (in module pysipfenn.descriptorDefinitions.KS2022) (in module pysipfenn.descriptorDefinitions.KS2022_dilute) (in module pysipfenn.descriptorDefinitions.Ward2017) generate_local_attributes() (pysipfenn.descriptorDefinitions.KS2022.LocalAttributeGenerator method) (pysipfenn.descriptorDefinitions.KS2022_dilute.LocalAttributeGenerator method) (pysipfenn.descriptorDefinitions.Ward2017.LocalAttributeGenerator method) generate_local_attributes_diluteSite() (pysipfenn.descriptorDefinitions.KS2022_dilute.LocalAttributeGenerator method)

generate_voronoi_attributes() (in module pysipfenn.descriptorDefinitions.KS2022) (in module pysipfenn.descriptorDefinitions.KS2022_dilute) (in module pysipfenn.descriptorDefinitions.Ward2017) generate_WC_attributes() (in module pysipfenn.descriptorDefinitions.Ward2017) get_equivalentSitesMultiplicities() (in module pysipfenn.descriptorDefinitions.KS2022) get_resultDicts() (pysipfenn.Calculator method), [1] get_resultDictsWithNames() (pysipfenn.Calculator method), [1]

I

inputFiles (pysipfenn.Calculator attribute), [1]

L

loadedModels (pysipfenn.Calculator attribute), [1] loadModelCustom() (pysipfenn.Calculator method), [1] loadModels() (pysipfenn.Calculator method), [1] local_env_function() (in module pysipfenn.descriptorDefinitions.KS2022) (in module pysipfenn.descriptorDefinitions.KS2022_dilute) (in module pysipfenn.descriptorDefinitions.Ward2017)

LocalAttributeGenerator (class in pysipfenn.descriptorDefinitions.KS2022) (class in pysipfenn.descriptorDefinitions.KS2022_dilute) (class in pysipfenn.descriptorDefinitions.Ward2017)

M

magpie_mode() (in module pysipfenn.descriptorDefinitions.KS2022) (in module pysipfenn.descriptorDefinitions.KS2022_dilute) (in module pysipfenn.descriptorDefinitions.Ward2017) makePredictions() (pysipfenn.Calculator method), [1] makePredictions_legacyMxNet() (pysipfenn.Calculator method), [1] models (pysipfenn.Calculator attribute), [1]

module pysipfenn, [1] pysipfenn.descriptorDefinitions.KS2022 pysipfenn.descriptorDefinitions.KS2022_dilute pysipfenn.descriptorDefinitions.Ward2017 pysipfenn.modelsSIPFENN

O

onlyStructural() (in module pysipfenn.descriptorDefinitions.KS2022)

P

predictions (pysipfenn.Calculator attribute), [1] profile() (in module pysipfenn.descriptorDefinitions.KS2022) (in module pysipfenn.descriptorDefinitions.KS2022_dilute) (in module pysipfenn.descriptorDefinitions.Ward2017) profileParallel() (in module pysipfenn.descriptorDefinitions.KS2022) (in module pysipfenn.descriptorDefinitions.KS2022_dilute) (in module pysipfenn.descriptorDefinitions.Ward2017) pysipfenn module, [1]

pysipfenn.descriptorDefinitions.KS2022 module pysipfenn.descriptorDefinitions.KS2022_dilute module pysipfenn.descriptorDefinitions.Ward2017 module pysipfenn.modelsSIPFENN module

R

runFromDirectory() (pysipfenn.Calculator method), [1] runFromDirectory_dilute() (pysipfenn.Calculator method), [1]

runModels() (pysipfenn.Calculator method), [1] runModels_dilute() (pysipfenn.Calculator method), [1]

S

showDocs() (in module pysipfenn), [1]

U

updateModelAvailability() (pysipfenn.Calculator method), [1]

W

ward2ks2022() (in module pysipfenn), [1]

writeDescriptorsToCSV() (pysipfenn.Calculator method), [1] writeResultsToCSV() (pysipfenn.Calculator method), [1]