commit 3f68fbbbe6839eda4ad450ce63b78c31018cbc80
Author: ndwarshuis <ndwar@yavin4.ch>
Date:   Sat Apr 1 21:39:59 2023 -0400

    init commit

diff --git a/config/config.yml b/config/config.yml
new file mode 100644
index 0000000..19c4d21
--- /dev/null
+++ b/config/config.yml
@@ -0,0 +1 @@
+my_pswid: MD0150005
diff --git a/env.yml b/env.yml
new file mode 100644
index 0000000..8661570
--- /dev/null
+++ b/env.yml
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+name: moco-water
+channels:
+  - conda-forge
+dependencies:
+  - snakemake-minimal=7.25.0
+  - mamba
+  - snakefmt
diff --git a/workflow/Snakefile b/workflow/Snakefile
new file mode 100644
index 0000000..d33cc65
--- /dev/null
+++ b/workflow/Snakefile
@@ -0,0 +1,109 @@
+from pathlib import Path
+from os.path import dirname
+from snakemake.utils import min_version
+
+min_version("7.20")
+
+configfile: "config/config.yml"
+
+
+ucmr_data = {
+    1: (
+        "https://www.epa.gov/sites/default/files/2015-09/ucmr1_list1and2chem.zip",
+        "ucmr1_list1and2chem_final.xls",
+    ),
+    2: (
+        "https://www.epa.gov/sites/default/files/2015-09/ucmr2_occurrencedata_jan12.zip",
+        "UCMR2_All_OccurrenceData_Jan12.txt",
+    ),
+    3: (
+        "https://www.epa.gov/sites/default/files/2017-02/ucmr-3-occurrence-data.zip",
+        "UCMR3_All.txt",
+    ),
+    4: (
+        "https://www.epa.gov/sites/default/files/2020-04/ucmr_4_occurrence_data.zip",
+        "UCMR4_All.txt",
+    ),
+}
+
+
+rule download_ucmr:
+    output:
+        "resources/ucmr/{ucmr}.zip",
+    params:
+        url=lambda w: ucmr_data[int(w.ucmr)][0],
+    shell:
+        "curl -sS -L -o {output} {params.url}"
+
+
+rule unzip_ucmr_1:
+    input:
+        expand(rules.download_ucmr.output, ucmr=1),
+    output:
+        "results/ucmr/ucmr_unzipped_1/ucmr1_list1and2chem_final.xls",
+    params:
+        zipdest=lambda _, output: dirname(output[0]),
+    shell:
+        """
+        rm -rf {params.zipdest} && \
+        mkdir {params.zipdest} && \
+        unzip {input} -d {params.zipdest}
+        """
+
+
+use rule unzip_ucmr_1 as unzip_ucmr_2 with:
+    input:
+        expand(rules.download_ucmr.output, ucmr=2),
+    output:
+        "results/ucmr/ucmr_unzipped_2/UCMR2_All_OccurrenceData_Jan12.txt",
+
+
+use rule unzip_ucmr_1 as unzip_ucmr_3 with:
+    input:
+        expand(rules.download_ucmr.output, ucmr=3),
+    output:
+        "results/ucmr/ucmr_unzipped_3/UCMR3_All.txt",
+
+
+use rule unzip_ucmr_1 as unzip_ucmr_4 with:
+    input:
+        expand(rules.download_ucmr.output, ucmr=4),
+    output:
+        "results/ucmr/ucmr_unzipped_4/UCMR4_All.txt",
+
+
+rule fix_ucmr4_data_tbl:
+    input:
+        rules.unzip_ucmr_4.output,
+    output:
+        "results/ucmr/ucmr_unzipped_4/UCMR4_All_fixed.txt",
+    shell:
+        """
+        cat {input} | sed 's/(\\xB5g\\/L)//' > {output}
+        """
+
+
+rule standardize_ucmr_3:
+    input:
+        rules.unzip_ucmr_3.output,
+    output:
+        "results/ucmr_data/all_std_3.txv.gz",
+    conda:
+        "envs/tidyverse.yml"
+    script:
+        "scripts/standardize_ucmr_34.R"
+
+use rule standardize_ucmr_3 as standardize_ucmr_4 with:
+    input:
+        rules.fix_ucmr4_data_tbl.output,
+    output:
+        "results/ucmr_data/all_std_4.txv.gz",
+
+
+
+rule all:
+    input:
+        rules.standardize_ucmr_3.output,
+        rules.standardize_ucmr_4.output,
+        # expand(rules.unzip_ucmr.output, ucmr=[1, 2, 3]),
+        # rules.fix_ucmr4_data_tbl.output,
diff --git a/workflow/envs/tidyverse.yml b/workflow/envs/tidyverse.yml
new file mode 100644
index 0000000..ba1c4bc
--- /dev/null
+++ b/workflow/envs/tidyverse.yml
@@ -0,0 +1,7 @@
+name: moco-water-tidyverse
+channels:
+  - conda-forge
+dependencies:
+  - r-tidyverse
+  - r-styler
+  - r-lintr
diff --git a/workflow/scripts/standardize_ucmr_34.R b/workflow/scripts/standardize_ucmr_34.R
new file mode 100644
index 0000000..90f060e
--- /dev/null
+++ b/workflow/scripts/standardize_ucmr_34.R
@@ -0,0 +1,21 @@
+library(tidyverse)
+
+snakemake@input[[1]] %>%
+  readr::read_tsv(
+  col_types = cols(
+    PWSID = "c",
+    PWSName = "c",
+    FacilityName = "c",
+    SamplePointID = "c",
+    SamplePointName = "c",
+    SamplePointType = "c",
+    CollectionDate = "c",
+    Contaminant = "c",
+    AnalyticalResultsSign = "c",
+    AnalyticalResultValue = "d",
+    .default = "-"
+  )) %>%
+  mutate(CollectionDate = as.Date(CollectionDate)) %>%
+  rename(value = "AnalyticalResultValue") %>%
+  filter(PWSID == snakemake@config[["my_pswid"]]) %>%
+  readr::write_tsv(snakemake@output[[1]])