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rachmaninoffpkrachmaninoffpk
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Merge pull request #84 from USEPA/83-batch-functions-to-get-experimental-and-predicted-chemical-properties-seem-to-be-swapped
Fixed 'experimental' and 'predicted' batch functions that had been sw…
2 parents 9095af0 + 139fa02 commit 283d872

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‎R/chemical-APIs-batch.R‎

Lines changed: 52 additions & 53 deletions
Original file line numberDiff line numberDiff line change
@@ -875,41 +875,42 @@ get_chem_props_exp_batch <- function(DTXSID = NULL,
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indices <- generate_ranges(num_dtxsid)
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dt <- data.table::data.table(id = integer(),
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dtxsid = character(),
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dtxcid = character(),
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smiles = character(),
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canonQsarSmiles = character(),
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genericSubstanceUpdatedAt = character(),
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propName = character(),
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propCategory = character(),
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propDescription = character(),
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modelName = character(),
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modelId = integer(),
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dtxcid = character(),
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dtxsid = character(),
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sourceName = character(),
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sourceDescription = character(),
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propValueExperimental = numeric(),
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propValueExperimentalString = character(),
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propValue = numeric(),
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lscitation = character(),
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propValueText = character(),
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expDetailsPh = integer(),
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directUrl = character(),
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publicSourceUrl = character(),
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propValueId = integer(),
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briefCitation = character(),
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propName = character(),
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propUnit = character(),
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propValueString = character(),
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propValueError = character(),
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adMethod = character(),
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adValue = numeric(),
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adConclusion = character(),
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adReasoning = character(),
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adMethodGlobal = character(),
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adValueGlobal = numeric(),
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adConclusionGlobal = character(),
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adReasoningGlobal = character(),
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hasQmrf = logical(),
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qmrfUrl = character()
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)
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propValueOriginal = character(),
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expDetailsTemperatureC = integer(),
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expDetailsPressureMmhg = integer(),
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publicSourceName = character(),
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publicSourceOriginalUrl = character(),
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expDetailsSpeciesLatin = character(),
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expDetailsResponseSite = character(),
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expDetailsSpeciesCommon = character(),
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sourceDescription = character(),
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publicSourceDescription = character(),
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expDetailsSpeciesSupercategory = character(),
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publicSourceOriginalDescription = character(),
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publicSourceOriginalName = character(),
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lsDoi = character(),
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lsName = character(),
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dataset = character())
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for (i in seq_along(indices)){
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# print(paste('The current index is i =', i, 'out of', length(indices)))
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response <- httr::POST(url = paste0(Server, '/property/predicted/search/by-dtxsid/'),
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response <- httr::POST(url = paste0(Server, '/property/experimental/search/by-dtxsid/'),
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httr::add_headers(.headers = c(
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'Accept' = 'application/json',
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'Content-Type' = 'application/json',
@@ -980,42 +981,40 @@ get_chem_props_pred_batch <- function(DTXSID = NULL,
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indices <- generate_ranges(num_dtxsid)
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dt <- data.table::data.table(id = integer(),
983-
smiles = character(),
984-
dtxcid = character(),
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dtxsid = character(),
985+
dtxcid = character(),
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smiles = character(),
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canonQsarSmiles = character(),
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genericSubstanceUpdatedAt = character(),
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propName = character(),
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propCategory = character(),
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propDescription = character(),
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modelName = character(),
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modelId = integer(),
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sourceName = character(),
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sourceDescription = character(),
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propValueExperimental = numeric(),
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propValueExperimentalString = character(),
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propValue = numeric(),
988-
lscitation = character(),
989-
propValueText = character(),
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expDetailsPh = integer(),
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directUrl = character(),
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publicSourceUrl = character(),
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propValueId = integer(),
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briefCitation = character(),
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propName = character(),
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propUnit = character(),
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propValueOriginal = character(),
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expDetailsTemperatureC = integer(),
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expDetailsPressureMmhg = integer(),
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publicSourceName = character(),
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publicSourceOriginalUrl = character(),
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expDetailsSpeciesLatin = character(),
1003-
expDetailsResponseSite = character(),
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expDetailsSpeciesCommon = character(),
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sourceDescription = character(),
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publicSourceDescription = character(),
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expDetailsSpeciesSupercategory = character(),
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publicSourceOriginalDescription = character(),
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publicSourceOriginalName = character(),
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lsDoi = character(),
1011-
lsName = character(),
1012-
dataset = character())
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propValueString = character(),
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propValueError = character(),
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adMethod = character(),
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adValue = numeric(),
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adConclusion = character(),
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adReasoning = character(),
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adMethodGlobal = character(),
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adValueGlobal = numeric(),
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adConclusionGlobal = character(),
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adReasoningGlobal = character(),
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hasQmrf = logical(),
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qmrfUrl = character())
10131012

10141013
for (i in seq_along(indices)){
10151014

10161015
# print(paste('The current index is i =', i, 'out of', length(indices)))
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1018-
response <- httr::POST(url = paste0(Server, '/property/experimental/search/by-dtxsid/'),
1017+
response <- httr::POST(url = paste0(Server, '/property/predicted/search/by-dtxsid/'),
10191018
httr::add_headers(.headers = c(
10201019
'Accept' = 'application/json',
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'Content-Type' = 'application/json',

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