diff --git a/.gitignore b/.gitignore index 701b6ab..afa12f0 100644 --- a/.gitignore +++ b/.gitignore @@ -163,3 +163,4 @@ cython_debug/ /R .swp /test +.DS_Store diff --git a/app.py b/app.py index af0b1ca..5b5f6b2 100755 --- a/app.py +++ b/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 diff --git a/static/search.txt b/static/search.txt new file mode 100644 index 0000000..e7070d2 --- /dev/null +++ b/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 diff --git a/static/upload.txt b/static/upload.txt new file mode 100644 index 0000000..558c856 --- /dev/null +++ b/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 diff --git a/templates/batchadd.html b/templates/batchadd.html index 652ce50..84c4582 100644 --- a/templates/batchadd.html +++ b/templates/batchadd.html @@ -2,7 +2,11 @@ {% block content %}

Batch Upload Chemicals

- Source Code with required type definitions + + Source Code with required type definitions (shows which fields are optional) +
+Sample TSV file to upload
diff --git a/templates/batchquery.html b/templates/batchquery.html index b7a20be..6d0e833 100644 --- a/templates/batchquery.html +++ b/templates/batchquery.html @@ -3,6 +3,8 @@ {% block content %}

Batch Query Chemicals

Source Code with required type definitions +
+Sample TSV file to upload