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added examples for text files

master
junikimm717 1 year ago
parent
commit
04351dc5cf
  1. 1
      .gitignore
  2. 2
      app.py
  3. 4
      static/search.txt
  4. 3
      static/upload.txt
  5. 6
      templates/batchadd.html
  6. 2
      templates/batchquery.html

1
.gitignore

@ -163,3 +163,4 @@ cython_debug/
/R
.swp
/test
.DS_Store

2
app.py

@ -56,7 +56,7 @@ class Admin(db.Model):
@classmethod
def exists(cls):
user = Admin.query.one_or_none()
user = Admin.query.first()
return True if user else False
@classmethod

4
static/search.txt

@ -0,0 +1,4 @@
rt_min rt_max mz_min mz_max
0 500 0 500
200 250 200 300
100 400 100 200

3
static/upload.txt

@ -0,0 +1,3 @@
metabolite_name formula person_name mass final_mz final_rt final_adduct standard_grp msms_detected inchikey chemical_db_id library pubchem_cid pubmed_refcount standard_class inchikey14 adduct detected_adducts adduct_calc_mz msms_purity
Folic Acid C11H15N2O8P Tei Kim 441.1397 442.1470 36.8 M+H Endogenous Yes OVBPIULPVIDEAO-LBPRGKRZSA-N HRELC_00003 IROA_MSMLS_Library_Plate01 135398658 17654 Endogenous_metabolite OVBPIULPVIDEAO M+H M+H NA 0.968
Omethoate C5H12NO4PS Tei Kim 213.022466 214.029776 32.74 M+H Endogenous Yes PZXOQEXFMJCDPG-UHFFFAOYSA-N HRELC_00835 Restek_Mix1 14210 98 Pesticides PZXOQEXFMJCDPG M+H M+H 214.0297 0.968

6
templates/batchadd.html

@ -2,7 +2,11 @@
{% block content %}
<h2>Batch Upload Chemicals</h2>
<a href="https://git.junickim.me/junikimm717/walker-database/raw/master/validate.py"> Source Code with required type definitions </a>
<a
href="https://git.junickim.me/junikimm717/walker-database/raw/master/validate.py">
Source Code with required type definitions (shows which fields are optional) </a>
<br>
<a href="{{ url_for ('static', filename='upload.txt')}}">Sample TSV file to upload</a>
<form method="post" enctype="multipart/form-data">
<label for="input"> Input file (tab delimited text file) </label>

2
templates/batchquery.html

@ -3,6 +3,8 @@
{% block content %}
<h2>Batch Query Chemicals</h2>
<a href="https://git.junickim.me/junikimm717/walker-database/raw/master/validate.py"> Source Code with required type definitions </a>
<br>
<a href="{{ url_for ('static', filename='search.txt')}}">Sample TSV file to upload</a>
<form method="post" enctype="multipart/form-data">
<label for="input">Input (tab-delimited text file): </label>

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