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Merge pull request #2 from phac-nml/input-interface
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Input Data to the FastMatch Pipeline
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sgsutcliffe authored Dec 12, 2024
2 parents 70962d5 + a70d030 commit 25f22dd
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Showing 18 changed files with 86 additions and 215 deletions.
8 changes: 4 additions & 4 deletions assets/samplesheet.csv
Original file line number Diff line number Diff line change
@@ -1,4 +1,4 @@
sample,mlst_alleles
sample1,https://raw.githubusercontent.com/phac-nml/gasclustering/dev/tests/data/reports/sample1.mlst.json
sample2,https://raw.githubusercontent.com/phac-nml/gasclustering/dev/tests/data/reports/sample2.mlst.json
sample3,https://raw.githubusercontent.com/phac-nml/gasclustering/dev/tests/data/reports/sample3.mlst.json
sample,fastmatch_category,mlst_alleles
sample1,query,https://raw.githubusercontent.com/phac-nml/gasclustering/dev/tests/data/reports/sample1.mlst.json
sample2,query,https://raw.githubusercontent.com/phac-nml/gasclustering/dev/tests/data/reports/sample2.mlst.json
sample3,reference,https://raw.githubusercontent.com/phac-nml/gasclustering/dev/tests/data/reports/sample3.mlst.json
7 changes: 7 additions & 0 deletions assets/schema_input.json
Original file line number Diff line number Diff line change
Expand Up @@ -25,6 +25,13 @@
"pattern": "^\\S+\\.mlst(\\.subtyping)?\\.json(\\.gz)?$",
"errorMessage": "MLST JSON file from locidex report, cannot contain spaces and must have the extension: '.mlst.json', '.mlst.json.gz', '.mlst.subtyping.json', or 'mlst.subtyping.json.gz'"
},
"fastmatch_category": {
"type": "string",
"errorMessage": "Has to be either query or reference",
"description": "Identify whether a sample is query or reference",
"fa_icon": "far fa-sticky-note",
"enum": ["query", "reference"]
},
"metadata_1": {
"type": "string",
"meta": ["metadata_1"],
Expand Down
5 changes: 0 additions & 5 deletions conf/iridanext.config
Original file line number Diff line number Diff line change
Expand Up @@ -7,11 +7,6 @@ iridanext {
files {
idkey = "irida_id"
global = [
"**/ArborView/arborview.clustered_data_arborview.html",
"**/clusters/gas.mcluster.clusters.text",
"**/clusters/gas.mcluster.run.json",
"**/clusters/gas.mcluster.thresholds.json",
"**/clusters/gas.mcluster.tree.nwk",
"**/distances/profile_dists.allele_map.json",
"**/distances/profile_dists.query_profile.text",
"**/distances/profile_dists.ref_profile.text",
Expand Down
8 changes: 3 additions & 5 deletions nextflow.config
Original file line number Diff line number Diff line change
Expand Up @@ -43,6 +43,9 @@ params {
validationShowHiddenParams = false
validate_params = true

// FastMatch
threshold = 1.0

// Profile dists args
pd_distm = "hamming"
pd_missing_threshold = 1.0
Expand All @@ -53,11 +56,6 @@ params {
pd_columns = null
pd_count_missing = false

// GAS Cluster
gm_thresholds = "10,5,0"
gm_method = "average"
gm_delimiter = "."

// Metadata
metadata_1_header = "metadata_1"
metadata_2_header = "metadata_2"
Expand Down
46 changes: 17 additions & 29 deletions nextflow_schema.json
Original file line number Diff line number Diff line change
Expand Up @@ -104,6 +104,20 @@
},
"fa_icon": "far fa-clipboard"
},
"fastmatch": {
"title": "FastMatch",
"type": "object",
"description": "Parameters for FastMatch",
"default": "",
"properties": {
"threshold": {
"type": "number",
"description": "Comparison score threshold value",
"default": 1.0,
"minimum": 0
}
}
},
"profile_dists": {
"title": "Profile Dists",
"type": "object",
Expand Down Expand Up @@ -161,32 +175,6 @@
}
}
},
"gas_cluster": {
"title": "GAS Cluster",
"type": "object",
"description": "",
"default": "Parameters for GAS mcluster",
"properties": {
"gm_thresholds": {
"type": "string",
"default": "10,5,0",
"description": "Thresholds delimited by ','. Values should match units from '--pd_distm' (either 'hamming' or 'scaled').",
"pattern": "^(\\d+(\\.\\d+)?,)*\\d+(\\.\\d+)?$"
},
"gm_method": {
"type": "string",
"default": "average",
"description": "Clustering linkage method.",
"enum": ["single", "average", "complete"]
},
"gm_delimiter": {
"type": "string",
"default": ".",
"description": "Delimiter desired for nomenclature code. Must be alphanumeric or one of [._-].",
"pattern": "^[A-Fa-f0-9\\._-]+$"
}
}
},
"institutional_config_options": {
"title": "Institutional config options",
"type": "object",
Expand Down Expand Up @@ -346,13 +334,13 @@
"$ref": "#/definitions/input_output_options"
},
{
"$ref": "#/definitions/metadata"
"$ref": "#/definitions/fastmatch"
},
{
"$ref": "#/definitions/profile_dists"
"$ref": "#/definitions/metadata"
},
{
"$ref": "#/definitions/gas_cluster"
"$ref": "#/definitions/profile_dists"
},
{
"$ref": "#/definitions/institutional_config_options"
Expand Down
8 changes: 4 additions & 4 deletions tests/data/samplesheets/samplesheet-addsamplename.csv
Original file line number Diff line number Diff line change
@@ -1,4 +1,4 @@
sample,sample_name,mlst_alleles,metadata_1,metadata_2,metadata_3,metadata_4,metadata_5,metadata_6,metadata_7,metadata_8
sample1,S 1,https://raw.githubusercontent.com/phac-nml/gasclustering/dev/tests/data/reports/sample1.mlst.json,1.1,1.2,1.3,1.4,1.5,1.6,1.7,1.8
sample2,S2#,https://raw.githubusercontent.com/phac-nml/gasclustering/dev/tests/data/reports/sample2.mlst.json,2.1,2.2,2.3,2.4,2.5,2.6,2.7,2.8
sample3,S2_,https://raw.githubusercontent.com/phac-nml/gasclustering/dev/tests/data/reports/sample3.mlst.json,3.1,3.2,3.3,3.4,3.5,3.6,3.7,3.8
sample,fastmatch_category,sample_name,mlst_alleles,metadata_1,metadata_2,metadata_3,metadata_4,metadata_5,metadata_6,metadata_7,metadata_8
sample1,query,S 1,https://raw.githubusercontent.com/phac-nml/gasclustering/dev/tests/data/reports/sample1.mlst.json,1.1,1.2,1.3,1.4,1.5,1.6,1.7,1.8
sample2,query,S2#,https://raw.githubusercontent.com/phac-nml/gasclustering/dev/tests/data/reports/sample2.mlst.json,2.1,2.2,2.3,2.4,2.5,2.6,2.7,2.8
sample3,reference,S2_,https://raw.githubusercontent.com/phac-nml/gasclustering/dev/tests/data/reports/sample3.mlst.json,3.1,3.2,3.3,3.4,3.5,3.6,3.7,3.8
8 changes: 4 additions & 4 deletions tests/data/samplesheets/samplesheet-hamming.csv
Original file line number Diff line number Diff line change
@@ -1,4 +1,4 @@
sample,mlst_alleles,metadata_1,metadata_2,metadata_3,metadata_4,metadata_5,metadata_6,metadata_7,metadata_8
sample1,https://raw.githubusercontent.com/phac-nml/gasclustering/dev/tests/data/reports/case-hamming/sample1.mlst.subtyping.json,,,,,,,,
sample2,https://raw.githubusercontent.com/phac-nml/gasclustering/dev/tests/data/reports/case-hamming/sample2.mlst.subtyping.json,,,,,,,,
sample3,https://raw.githubusercontent.com/phac-nml/gasclustering/dev/tests/data/reports/case-hamming/sample3.mlst.subtyping.json,,,,,,,,
sample,fastmatch_category,mlst_alleles,metadata_1,metadata_2,metadata_3,metadata_4,metadata_5,metadata_6,metadata_7,metadata_8
sample1,query,https://raw.githubusercontent.com/phac-nml/gasclustering/dev/tests/data/reports/case-hamming/sample1.mlst.subtyping.json,,,,,,,,
sample2,query,https://raw.githubusercontent.com/phac-nml/gasclustering/dev/tests/data/reports/case-hamming/sample2.mlst.subtyping.json,,,,,,,,
sample3,reference,https://raw.githubusercontent.com/phac-nml/gasclustering/dev/tests/data/reports/case-hamming/sample3.mlst.subtyping.json,,,,,,,,
8 changes: 4 additions & 4 deletions tests/data/samplesheets/samplesheet-hash-missing.csv
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@@ -1,4 +1,4 @@
sample,mlst_alleles,metadata_1,metadata_2,metadata_3,metadata_4,metadata_5,metadata_6,metadata_7,metadata_8
sample1,https://raw.githubusercontent.com/phac-nml/gasclustering/dev/tests/data/reports/case-hash-missing/sample1.mlst.subtyping.json,,,,,,,,
sample2,https://raw.githubusercontent.com/phac-nml/gasclustering/dev/tests/data/reports/case-hash-missing/sample2.mlst.subtyping.json,,,,,,,,
sample3,https://raw.githubusercontent.com/phac-nml/gasclustering/dev/tests/data/reports/case-hash-missing/sample3.mlst.subtyping.json,,,,,,,,
sample,fastmatch_category,mlst_alleles,metadata_1,metadata_2,metadata_3,metadata_4,metadata_5,metadata_6,metadata_7,metadata_8
sample1,query,https://raw.githubusercontent.com/phac-nml/gasclustering/dev/tests/data/reports/case-hash-missing/sample1.mlst.subtyping.json,,,,,,,,
sample2,query,https://raw.githubusercontent.com/phac-nml/gasclustering/dev/tests/data/reports/case-hash-missing/sample2.mlst.subtyping.json,,,,,,,,
sample3,reference,https://raw.githubusercontent.com/phac-nml/gasclustering/dev/tests/data/reports/case-hash-missing/sample3.mlst.subtyping.json,,,,,,,,
8 changes: 4 additions & 4 deletions tests/data/samplesheets/samplesheet-hash-more-missing.csv
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@@ -1,4 +1,4 @@
sample,mlst_alleles,metadata_1,metadata_2,metadata_3,metadata_4,metadata_5,metadata_6,metadata_7,metadata_8
sample1,https://raw.githubusercontent.com/phac-nml/gasclustering/dev/tests/data/reports/case-hash-missing/sample1.mlst.subtyping.json,,,,,,,,
sample2,https://raw.githubusercontent.com/phac-nml/gasclustering/dev/tests/data/reports/case-hash-missing/sample2.mlst.subtyping.json,,,,,,,,
sample3,https://raw.githubusercontent.com/phac-nml/gasclustering/dev/tests/data/reports/case-hash-missing/sample3-more-missing.mlst.subtyping.json,,,,,,,,
sample,fastmatch_category,mlst_alleles,metadata_1,metadata_2,metadata_3,metadata_4,metadata_5,metadata_6,metadata_7,metadata_8
sample1,query,https://raw.githubusercontent.com/phac-nml/gasclustering/dev/tests/data/reports/case-hash-missing/sample1.mlst.subtyping.json,,,,,,,,
sample2,query,https://raw.githubusercontent.com/phac-nml/gasclustering/dev/tests/data/reports/case-hash-missing/sample2.mlst.subtyping.json,,,,,,,,
sample3,reference,https://raw.githubusercontent.com/phac-nml/gasclustering/dev/tests/data/reports/case-hash-missing/sample3-more-missing.mlst.subtyping.json,,,,,,,,
8 changes: 4 additions & 4 deletions tests/data/samplesheets/samplesheet-little-metadata.csv
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@@ -1,4 +1,4 @@
sample,mlst_alleles,metadata_1,metadata_2,metadata_3,metadata_4,metadata_5,metadata_6,metadata_7,metadata_8
sample1,https://raw.githubusercontent.com/phac-nml/gasclustering/dev/tests/data/reports/sample1.mlst.json,,,,1.4,,,,
sample2,https://raw.githubusercontent.com/phac-nml/gasclustering/dev/tests/data/reports/sample2.mlst.json,,,,,,,,
sample3,https://raw.githubusercontent.com/phac-nml/gasclustering/dev/tests/data/reports/sample3.mlst.json,3.1,3.2,,,,,,3.8
sample,fastmatch_category,mlst_alleles,metadata_1,metadata_2,metadata_3,metadata_4,metadata_5,metadata_6,metadata_7,metadata_8
sample1,query,https://raw.githubusercontent.com/phac-nml/gasclustering/dev/tests/data/reports/sample1.mlst.json,,,,1.4,,,,
sample2,query,https://raw.githubusercontent.com/phac-nml/gasclustering/dev/tests/data/reports/sample2.mlst.json,,,,,,,,
sample3,reference,https://raw.githubusercontent.com/phac-nml/gasclustering/dev/tests/data/reports/sample3.mlst.json,3.1,3.2,,,,,,3.8
8 changes: 4 additions & 4 deletions tests/data/samplesheets/samplesheet-mismatched-ids.csv
Original file line number Diff line number Diff line change
@@ -1,4 +1,4 @@
sample,mlst_alleles,metadata_1,metadata_2,metadata_3,metadata_4,metadata_5,metadata_6,metadata_7,metadata_8
sampleA,https://raw.githubusercontent.com/phac-nml/gasclustering/dev/tests/data/reports/sample1.mlst.json,1.1,1.2,1.3,1.4,1.5,1.6,1.7,1.8
sampleB,https://raw.githubusercontent.com/phac-nml/gasclustering/dev/tests/data/reports/sample2.mlst.json,2.1,2.2,2.3,2.4,2.5,2.6,2.7,2.8
sampleC,https://raw.githubusercontent.com/phac-nml/gasclustering/dev/tests/data/reports/sample3.mlst.json,3.1,3.2,3.3,3.4,3.5,3.6,3.7,3.8
sample,fastmatch_category,mlst_alleles,metadata_1,metadata_2,metadata_3,metadata_4,metadata_5,metadata_6,metadata_7,metadata_8
sampleA,query,https://raw.githubusercontent.com/phac-nml/gasclustering/dev/tests/data/reports/sample1.mlst.json,1.1,1.2,1.3,1.4,1.5,1.6,1.7,1.8
sampleB,query,https://raw.githubusercontent.com/phac-nml/gasclustering/dev/tests/data/reports/sample2.mlst.json,2.1,2.2,2.3,2.4,2.5,2.6,2.7,2.8
sampleC,reference,https://raw.githubusercontent.com/phac-nml/gasclustering/dev/tests/data/reports/sample3.mlst.json,3.1,3.2,3.3,3.4,3.5,3.6,3.7,3.8
8 changes: 4 additions & 4 deletions tests/data/samplesheets/samplesheet-no-metadata.csv
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@@ -1,4 +1,4 @@
sample,mlst_alleles,metadata_1,metadata_2,metadata_3,metadata_4,metadata_5,metadata_6,metadata_7,metadata_8
sample1,https://raw.githubusercontent.com/phac-nml/gasclustering/dev/tests/data/reports/sample1.mlst.json,,,,,,,,
sample2,https://raw.githubusercontent.com/phac-nml/gasclustering/dev/tests/data/reports/sample2.mlst.json,,,,,,,,
sample3,https://raw.githubusercontent.com/phac-nml/gasclustering/dev/tests/data/reports/sample3.mlst.json,,,,,,,,
sample,fastmatch_category,mlst_alleles,metadata_1,metadata_2,metadata_3,metadata_4,metadata_5,metadata_6,metadata_7,metadata_8
sample1,query,https://raw.githubusercontent.com/phac-nml/gasclustering/dev/tests/data/reports/sample1.mlst.json,,,,,,,,
sample2,query,https://raw.githubusercontent.com/phac-nml/gasclustering/dev/tests/data/reports/sample2.mlst.json,,,,,,,,
sample3,reference,https://raw.githubusercontent.com/phac-nml/gasclustering/dev/tests/data/reports/sample3.mlst.json,,,,,,,,
Original file line number Diff line number Diff line change
@@ -1,4 +1,4 @@
sample,mlst_alleles,metadata_1,metadata_2,metadata_3,metadata_4,metadata_5,metadata_6,metadata_7,metadata_8
sampleA,https://raw.githubusercontent.com/phac-nml/gasclustering/dev/tests/data/reports/sample1.mlst.json,1.1,1.2,1.3,1.4,1.5,1.6,1.7,1.8
sampleB,https://raw.githubusercontent.com/phac-nml/gasclustering/dev/tests/data/reports/sample2.mlst.json,2.1,2.2,2.3,2.4,2.5,2.6,2.7,2.8
sample3,https://raw.githubusercontent.com/phac-nml/gasclustering/dev/tests/data/reports/sample3.mlst.json,3.1,3.2,3.3,3.4,3.5,3.6,3.7,3.8
sample,fastmatch_category,mlst_alleles,metadata_1,metadata_2,metadata_3,metadata_4,metadata_5,metadata_6,metadata_7,metadata_8
sampleA,query,https://raw.githubusercontent.com/phac-nml/gasclustering/dev/tests/data/reports/sample1.mlst.json,1.1,1.2,1.3,1.4,1.5,1.6,1.7,1.8
sampleB,query,https://raw.githubusercontent.com/phac-nml/gasclustering/dev/tests/data/reports/sample2.mlst.json,2.1,2.2,2.3,2.4,2.5,2.6,2.7,2.8
sample3,reference,https://raw.githubusercontent.com/phac-nml/gasclustering/dev/tests/data/reports/sample3.mlst.json,3.1,3.2,3.3,3.4,3.5,3.6,3.7,3.8
8 changes: 4 additions & 4 deletions tests/data/samplesheets/samplesheet-tabs.csv
Original file line number Diff line number Diff line change
@@ -1,4 +1,4 @@
sample,mlst_alleles,metadata_1,metadata_2,metadata_3,metadata_4,metadata_5,metadata_6,metadata_7,metadata_8
sample1,https://raw.githubusercontent.com/phac-nml/gasclustering/dev/tests/data/reports/sample1.mlst.json,a b,,,,,,,
sample2,https://raw.githubusercontent.com/phac-nml/gasclustering/dev/tests/data/reports/sample2.mlst.json,,,,a b,,,,
sample3,https://raw.githubusercontent.com/phac-nml/gasclustering/dev/tests/data/reports/sample3.mlst.json,,,,,,,,a b
sample,fastmatch_category,mlst_alleles,metadata_1,metadata_2,metadata_3,metadata_4,metadata_5,metadata_6,metadata_7,metadata_8
sample1,query,https://raw.githubusercontent.com/phac-nml/gasclustering/dev/tests/data/reports/sample1.mlst.json,a b,,,,,,,
sample2,query,https://raw.githubusercontent.com/phac-nml/gasclustering/dev/tests/data/reports/sample2.mlst.json,,,,a b,,,,
sample3,reference,https://raw.githubusercontent.com/phac-nml/gasclustering/dev/tests/data/reports/sample3.mlst.json,,,,,,,,a b
8 changes: 4 additions & 4 deletions tests/data/samplesheets/samplesheet1.csv
Original file line number Diff line number Diff line change
@@ -1,4 +1,4 @@
sample,mlst_alleles,metadata_1,metadata_2,metadata_3,metadata_4,metadata_5,metadata_6,metadata_7,metadata_8
sample1,https://raw.githubusercontent.com/phac-nml/gasclustering/dev/tests/data/reports/sample1.mlst.json,1.1,1.2,1.3,1.4,1.5,1.6,1.7,1.8
sample2,https://raw.githubusercontent.com/phac-nml/gasclustering/dev/tests/data/reports/sample2.mlst.json,2.1,2.2,2.3,2.4,2.5,2.6,2.7,2.8
sample3,https://raw.githubusercontent.com/phac-nml/gasclustering/dev/tests/data/reports/sample3.mlst.json,3.1,3.2,3.3,3.4,3.5,3.6,3.7,3.8
sample,fastmatch_category,mlst_alleles,metadata_1,metadata_2,metadata_3,metadata_4,metadata_5,metadata_6,metadata_7,metadata_8
sample1,query,https://raw.githubusercontent.com/phac-nml/gasclustering/dev/tests/data/reports/sample1.mlst.json,1.1,1.2,1.3,1.4,1.5,1.6,1.7,1.8
sample2,query,https://raw.githubusercontent.com/phac-nml/gasclustering/dev/tests/data/reports/sample2.mlst.json,2.1,2.2,2.3,2.4,2.5,2.6,2.7,2.8
sample3,reference,https://raw.githubusercontent.com/phac-nml/gasclustering/dev/tests/data/reports/sample3.mlst.json,3.1,3.2,3.3,3.4,3.5,3.6,3.7,3.8
20 changes: 0 additions & 20 deletions tests/pipelines/main.nf.test
Original file line number Diff line number Diff line change
Expand Up @@ -12,7 +12,6 @@ nextflow_pipeline {
outdir = "results"

pd_distm = "scaled"
gm_thresholds = "50,20,0"

metadata_1_header = "myheader_1"
metadata_2_header = "myheader_2"
Expand Down Expand Up @@ -59,7 +58,6 @@ nextflow_pipeline {
input = "$baseDir/tests/data/samplesheets/samplesheet-hamming.csv"
outdir = "results"

gm_thresholds = "2,1,0"
}
}

Expand Down Expand Up @@ -188,24 +186,6 @@ nextflow_pipeline {
}
}

test("Test fail pipeline if invalid delimiter set") {
tag "pipeline_failure_invalid_delimiter"

when {
params {
input = "$baseDir/tests/data/samplesheets/samplesheet-hamming.csv"
outdir = "results"

gm_delimiter = ';'
}
}

then {
assert workflow.failed
assert workflow.stderr.contains('* --gm_delimiter: string [;] does not match pattern ^[A-Fa-f0-9\\._-]+$ (;)')
}
}

test("Full pipeline with no metadata") {
tag "pipeline_no_metadata"

Expand Down
94 changes: 0 additions & 94 deletions tests/pipelines/main_gm_thresholds.nf.test
Original file line number Diff line number Diff line change
Expand Up @@ -3,100 +3,6 @@ nextflow_pipeline {
name "Integration Tests of adjusting gm_thresholds parameter for clustering"
script "main.nf"

test("Test fail pipeline if null threshold set") {
tag "pipeline_failure_null_threshold"

when {
params {
input = "$baseDir/tests/data/samplesheets/samplesheet-hamming.csv"
outdir = "results"

gm_thresholds = null
}
}

then {
assert workflow.failed
assert workflow.stdout.contains("ERROR ~ --gm_thresholds null: Cannot pass null or empty string")
}
}

test("Test fail pipeline if empty threshold set") {
tag "pipeline_failure_no_threshold"

when {
params {
input = "$baseDir/tests/data/samplesheets/samplesheet-hamming.csv"
outdir = "results"

gm_thresholds = ""
}
}

then {
assert workflow.failed
assert workflow.stdout.contains("ERROR ~ --gm_thresholds : Cannot pass null or empty string")
}
}

test("Test fail pipeline if negative threshold set") {
tag "pipeline_failure_negative_threshold"

when {
params {
input = "$baseDir/tests/data/samplesheets/samplesheet-hamming.csv"
outdir = "results"

gm_thresholds = "-1"
}
}

then {
assert workflow.failed
assert workflow.stderr.contains('* --gm_thresholds: string [-1] does not match pattern ^(\\d+(\\.\\d+)?,)*\\d+(\\.\\d+)?$ (-1)')
}
}

test("Test fail pipeline if mismatch between thresholds and scaled distm") {
tag "pipeline_failure_threshold_scaled"

when {
params {
input = "$baseDir/tests/data/samplesheets/samplesheet-hamming.csv"
outdir = "results"

gm_thresholds = "200,50"
pd_distm = "scaled"
}
}

then {
assert workflow.failed
assert workflow.stdout.contains("ERROR ~ '--pd_distm scaled' is set, but '--gm_thresholds 200,50' contains thresholds outside of range [0, 100]."
+ " Please either set '--pd_distm hamming' or adjust the threshold values.")
}
}

test("Test fail pipeline if mismatch between thresholds and hamming distm") {
tag "pipeline_failure_threshold_hamming"

when {
params {
input = "$baseDir/tests/data/samplesheets/samplesheet-hamming.csv"
outdir = "results"

gm_thresholds = "2,0.5"
pd_distm = "hamming"
}
}

then {
assert workflow.failed
assert workflow.stdout.contains("ERROR ~ '--pd_distm hamming' is set, but '--gm_thresholds 2,0.5' contains fractions."
+ " Please either set '--pd_distm scaled' or remove fractions from distance thresholds.")
}
}

test("Test pipeline with single threshold set to 0") {
tag "pipeline_thresh_0"

Expand Down
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