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  1. .gitattributes +142 -0
  2. pubchem/pubchem/author/prefix +3 -0
  3. pubchem/pubchem/author/prefix_add.bash +34 -0
  4. pubchem/pubchem/author/split_ttl_gz.bash +57 -0
  5. pubchem/pubchem/author/xaa_pc_author_000001.ttl +3 -0
  6. pubchem/pubchem/author/xab_pc_author_000001.ttl +3 -0
  7. pubchem/pubchem/author/xab_pc_author_000002.ttl +3 -0
  8. pubchem/pubchem/author/xab_pc_author_000003.ttl +3 -0
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  10. pubchem/pubchem/author/xac_pc_author_000001.ttl +3 -0
  11. pubchem/pubchem/author/xac_pc_author_000003.ttl +3 -0
  12. pubchem/pubchem/author/xad_pc_author_000002.ttl +3 -0
  13. pubchem/pubchem/author/xad_pc_author_000003.ttl +3 -0
  14. pubchem/pubchem/author/xad_pc_author_000006.ttl +3 -0
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  18. pubchem/pubchem/author/xae_pc_author_000004.ttl +3 -0
  19. pubchem/pubchem/author/xae_pc_author_000005.ttl +3 -0
  20. pubchem/pubchem/author/xaf_pc_author_000001.ttl +3 -0
  21. pubchem/pubchem/author/xaf_pc_author_000002.ttl +3 -0
  22. pubchem/pubchem/author/xag_pc_author_000001.ttl +3 -0
  23. pubchem/pubchem/author/xag_pc_author_000002.ttl +3 -0
  24. pubchem/pubchem/author/xah_pc_author_000001.ttl +3 -0
  25. pubchem/pubchem/author/xah_pc_author_000002.ttl +3 -0
  26. pubchem/pubchem/author/xah_pc_author_000003.ttl +3 -0
  27. pubchem/pubchem/author/xah_pc_author_000004.ttl +3 -0
  28. pubchem/pubchem/author/xai_pc_author_000001.ttl +3 -0
  29. pubchem/pubchem/author/xaj_pc_author_000002.ttl +3 -0
  30. pubchem/pubchem/author/xaj_pc_author_000003.ttl +3 -0
  31. pubchem/pubchem/author/xak_pc_author_000001.ttl +3 -0
  32. pubchem/pubchem/author/xak_pc_author_000002.ttl +3 -0
  33. pubchem/pubchem/author/xak_pc_author_000004.ttl +3 -0
  34. pubchem/pubchem/author/xal_pc_author_000003.ttl +3 -0
  35. pubchem/pubchem/author/xam_pc_author_000002.ttl +3 -0
  36. pubchem/pubchem/author/xan_pc_author_000002.ttl +0 -0
  37. pubchem/pubchem/author/xan_pc_author_000003.ttl +0 -0
  38. pubchem/pubchem/cell/index.html +11 -0
  39. pubchem/pubchem/cell/pc_cell.ttl +3 -0
  40. pubchem/pubchem/journal/index.html +11 -0
  41. pubchem/pubchem/journal/pc_journal_000001.ttl +3 -0
  42. pubchem/pubchem/jq +3 -0
  43. pubchem/pubchem/pubchemtables_aa_pc_protein.json +1 -0
  44. pubchem/pubchem/pubchemtables_ac_pc_gene.json +1 -0
  45. pubchem/pubchem/pubchemtables_pc_disease.json +0 -0
  46. pubchem/pubchem/pubchemtables_pc_taxonomy.json +3 -0
  47. pubchem/pubchem/pubchemtables_xaa_pc_author_000006.json +1 -0
  48. pubchem/pubchem/pubchemtables_xaa_pc_descr_IUPACName_value_000002.json +3 -0
  49. pubchem/pubchem/pubchemtables_xaa_pc_descr_IUPACName_value_000005.json +3 -0
  50. pubchem/pubchem/pubchemtables_xaa_pc_descr_IUPACName_value_000007.json +3 -0
.gitattributes CHANGED
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pubchem/pubchem/author/prefix ADDED
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+ @prefix dcterms: <http://purl.org/dc/terms/> .
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+ @prefix author: <http://rdf.ncbi.nlm.nih.gov/pubchem/author/> .
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+ @prefix vcard2006: <http://www.w3.org/2006/vcard/ns#> .
pubchem/pubchem/author/prefix_add.bash ADDED
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+ #!/bin/bash
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+
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+ # Directory to search for .ttl files.
4
+ search_dir="."
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+
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+ # File containing the prefix.
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+ prefix_file="prefix"
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+
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+ # Check if the prefix file exists.
10
+ if [[ ! -f "$prefix_file" ]]; then
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+ echo "Error: '$prefix_file' not found."
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+ exit 1
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+ fi
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+
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+ # Find and process each .ttl file.
16
+ find "$search_dir" -type f -name "*.ttl" -exec sh -c '
17
+ for ttl_file do
18
+ # Create temporary files.
19
+ temp_file=$(mktemp)
20
+ temp_file2=$(mktemp)
21
+
22
+ # Remove lines starting with @prefix and write to the temporary file.
23
+ grep -v '^@prefix' "$ttl_file" > "$temp_file2"
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+
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+ # Prepend the prefix to the .ttl file and write to the temporary file.
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+ cat "$1" "$temp_file2" > "$temp_file"
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+
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+ # Move the temporary file to the original .ttl file.
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+ mv "$temp_file" "$ttl_file"
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+
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+ # Remove the temporary files.
32
+ rm "$temp_file2"
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+ done
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+ ' _ "$prefix_file" {} +
pubchem/pubchem/author/split_ttl_gz.bash ADDED
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+ #! /bin/bash
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+
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+ # splitlines is a variable that tells the script after how many
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+ # Turtle triples groups it should split. At the moment, we simply
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+ # split by assuming that each trailing '.' at the end of a line
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+ # ends a triples group.
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+ # The default is 200000000 but depending on the size of your
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+ # ttl.gz or your memory you may want to decide for smaller chunks.
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+ splitlines=1000000
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+
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+ # auxchar is an auxiliary character
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+ # that the script needs to replace end of lines
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+ # in an intermediate step. you need to make sure
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+ # that it doesn't appear in the turtle file you want to split.
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+ # auxchar can be changed/overridden with option -x
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+ auxchar=±
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+
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+ while getopts l:x: opt; do
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+ case $opt in
21
+ l)
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+ splitlines=$OPTARG
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+ echo "splitlines set to $splitlines explicitly by option -l" >&2
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+ ;;
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+ x)
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+ auxchar=$OPTARG
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+ echo "auxchar set to $auxchar explicitly by option -x" >&2
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+ ;;
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+ \?)
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+ echo "Invalid option: -$OPTARG" >&2
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+ ;;
32
+ esac
33
+ done
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+
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+ #get the last argument (filename) expects a ttl.gz:
36
+ fn="${@: -1}"
37
+
38
+ # Then create all the split gz files:
39
+ # Note: the last ${fn}.gz probably creates files named .gz.gz but who cares.
40
+
41
+ splitfiles=(*_${fn}_split*)
42
+
43
+ if [ -e "${splitfiles[0]}" ] || [ -e "prefixes_${fn}.gz" ]
44
+ then
45
+ echo "splits or prefix file for file ${fn} already exist!"
46
+ else
47
+ # First, extract a file containing all the prefixes...
48
+ echo "Creating prefixes_${fn}.gz"
49
+ gunzip -c ${fn} | grep @prefix |sort -u | gzip > prefixes_${fn}.gz
50
+
51
+ # ... then, create the actual split files
52
+ echo "Creating split files"
53
+ zcat ${fn}| grep -v @prefix | sed -e s/'\.$'/"$auxchar"/g | \
54
+ tr '\n' ' ' | tr "$auxchar" '\n' | grep -v -e '^[ ]*$' | \
55
+ sed -e s/'$'/' .'/ | \
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+ split -l$splitlines --additional-suffix=_${fn}_split --filter='gzip > $FILE.gz'
57
+ fi
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pubchem/pubchem/cell/index.html ADDED
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+ <html>
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+ <head>
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+ <title>Index of /pubchem/RDF/cell</title>
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+ </head>
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+ <body>
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+ <h1>Index of /pubchem/RDF/cell</h1>
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+ <pre>Name Last modified Size <hr><a href="/pubchem/RDF/">Parent Directory</a> -
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+ <hr></pre>
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+ <a href="https://www.hhs.gov/vulnerability-disclosure-policy/index.html">HHS Vulnerability Disclosure</a>
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+ <head>
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+ <title>Index of /pubchem/RDF/journal</title>
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+ </head>
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+ <body>
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+ <h1>Index of /pubchem/RDF/journal</h1>
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+ <pre>Name Last modified Size <hr><a href="/pubchem/RDF/">Parent Directory</a> -
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+ <hr></pre>
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+ <a href="https://www.hhs.gov/vulnerability-disclosure-policy/index.html">HHS Vulnerability Disclosure</a>
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