commit 5e3802bf85eee79c193b174c5363cad0cd20c0e7
Author: junikimm717 <68165832+junikimm717@users.noreply.github.com>
Date:   Sat Dec 24 22:13:08 2022 -0500

    first commit

diff --git a/.gitattributes b/.gitattributes
new file mode 100644
index 0000000..04da74a
--- /dev/null
+++ b/.gitattributes
@@ -0,0 +1,2 @@
+*.csv filter=lfs diff=lfs merge=lfs -text
+*.xlsx filter=lfs diff=lfs merge=lfs -text
diff --git a/.gitignore b/.gitignore
new file mode 100644
index 0000000..ab6bf73
--- /dev/null
+++ b/.gitignore
@@ -0,0 +1,3 @@
+__pycache__
+.DS_Store
+/venv
diff --git a/csv/1.csv b/csv/1.csv
new file mode 100644
index 0000000..3b506e1
--- /dev/null
+++ b/csv/1.csv
@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:fe028dbd3f5c841f9ef3078371764e5e20e6e0038b6ece244e5aec550d9fd119
+size 2753
diff --git a/csv/2.csv b/csv/2.csv
new file mode 100644
index 0000000..e6701eb
--- /dev/null
+++ b/csv/2.csv
@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:8cfa6e5d7d6fc4f07abdec4a90e8fa66bdcddd711306191e9e5c0df228cfe40c
+size 38956
diff --git a/data1.py b/data1.py
new file mode 100755
index 0000000..f2d4644
--- /dev/null
+++ b/data1.py
@@ -0,0 +1,33 @@
+#!/usr/bin/env python3
+
+from pandas import read_csv
+from pprint import pprint
+
+df = read_csv("./csv/1.csv")
+pprint(list(enumerate(df.columns)))
+cols = [
+    ('chemical_db_id', 1),
+    ('library', 2),
+    ('name', 4),
+    ('formula', 5),
+    ('mass', 6),
+    ('pubchem_cid', 7),
+    ('pubmed_refcount', 8),
+    ('standard_class', 9),
+    ('inchikey', 11),
+    ('inchikey14', 12),
+    ('final_mz', 15),
+    ('final_rt', 16),
+    ('final_adduct', 17),
+    ('adduct', 18),
+    ('detected_adducts', 20),
+    ('adduct_calc_mz', 21),
+    ('msms_detected', 24),
+    ('msms_purity', 26)
+]
+idxs = [x[1] for x in cols]
+
+data = [{x[0]: row[x[1]] for x in cols} for row in df.to_dict('tight')['data']]
+for x in data:
+    if x['msms_detected'] == 'No':
+        del x['msms_detected']
diff --git a/data2.py b/data2.py
new file mode 100755
index 0000000..130f36f
--- /dev/null
+++ b/data2.py
@@ -0,0 +1,33 @@
+#!/usr/bin/env python3
+
+from pandas import read_csv
+from pprint import pprint
+
+df = read_csv("./csv/2.csv")
+pprint(list(enumerate(df.columns)))
+
+cols = [
+    ('chemical_db_id', 1),
+    ('library', 2),
+    ('name', 4),
+    ('formula', 6),
+    ('mass', 7),
+    ('pubchem_cid', 10),
+    ('pubmed_refcount', 8),
+    ('standard_class', 11),
+    ('inchikey', 13),
+    ('inchikey14', 14),
+    ('final_mz', 17),
+    ('final_rt', 18),
+    ('final_adduct', 19),
+    ('adduct', 20),
+    ('detected_adducts', 22),
+    ('adduct_calc_mz', 23),
+    ('msms_detected', 26),
+    ('msms_purity', 28)
+]
+
+data = [{x[0]: row[x[1]] for x in cols} for row in df.to_dict('tight')['data']]
+for x in data:
+    if x['msms_detected'] == 'No':
+        del x['msms_detected']
diff --git a/enter_data.py b/enter_data.py
new file mode 100755
index 0000000..b43b571
--- /dev/null
+++ b/enter_data.py
@@ -0,0 +1,21 @@
+#!/usr/bin/env python3
+
+import requests
+import sys
+import data2
+import data1
+
+baseurl = "http://127.0.0.1:5000"
+session = requests.session()
+
+with session.post(baseurl + "/admin/login", {'username': 'admin', 'password': 'admin'}) as req:
+    if req.status_code != 200:
+        print("Auth Failed")
+        sys.exit(1)
+
+for x in data1.data + data2.data:
+    print(f"POSTing for {x}...")
+    req = session.post(baseurl + "/chemical/create", x)
+    if req.status_code != 200:
+        print(f"Request Failed for {x}")
+    print("Complete.")
diff --git a/requirements.txt b/requirements.txt
new file mode 100644
index 0000000..c0e6bfa
--- /dev/null
+++ b/requirements.txt
@@ -0,0 +1,11 @@
+certifi==2022.12.7
+charset-normalizer==2.1.1
+idna==3.4
+numpy==1.24.0
+pandas==1.5.2
+python-dateutil==2.8.2
+pytz==2022.7
+requests==2.28.1
+six==1.16.0
+urllib3==1.26.13
+xlsx2csv==0.8.0
diff --git a/xlsx/Example1.xlsx b/xlsx/Example1.xlsx
new file mode 100644
index 0000000..0eb92e2
--- /dev/null
+++ b/xlsx/Example1.xlsx
@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:2653e3e6d421f72f0c71a06e6418ac5458239579425aed67d6d35c316d0148db
+size 11700
diff --git a/xlsx/Example2.xlsx b/xlsx/Example2.xlsx
new file mode 100644
index 0000000..5d43f85
--- /dev/null
+++ b/xlsx/Example2.xlsx
@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:17cb6b7823ad5f86ad3d9f9a30547c152d5ed1f4fff9772cde99d3f06f6a9ac6
+size 29000