New version with front end to allow for additional modules to be added in the future.

.gitignore

@@ -1,5 +1,5 @@
 __pycache__/*
 .idea/*
 .DS_Store
-static/.DS_Store
+color_module/static/.DS_Store
 

CHRIS.py

@@ -1,123 +1,14 @@
-from flask import Flask, render_template, request
-import numpy as np
-from functions import SigFigs, Piringer, WilkeChang, SheetRelease
-from polymers import Polymers
-
-# load polymer data including Ap values
-polymers, Ap = Polymers()
-
-# Named color additives, TI values, and Mw
-nCA = 14
-caData = np.zeros((nCA,), dtype=[('name', 'a75'), ('TI', 'd'), ('MW', 'd')])
-caData[0] = ('Titanium dioxide (CAS#:13463-67-7)', 1.0, 1100.)
-caData[1] = ('Carbon black (CAS#:1333-86-4)', 2.0, 1100.)
-caData[2] = ('Pigment brown 24 (CAS#:68186-90-3)', 0.5, 1100.)
-caData[3] = ('Zinc Oxide (CAS#:1314-13-2)', 0.05, 1100.)
-caData[4] = ('Pigment Red 101 (CAS#: 1309-37-1)', 1.0, 1100.)
-caData[5] = ('Solvent violet 13 (CAS#:81-48-1)', 0.0013, 319.4)
-caData[6] = ('Manganese phthalocyanine (CAS#:14325-24-7)', 0.15, 567.5)
-caData[7] = ('Pigment blue 15 (CAS#:147-14-8)', 0.15, 576.1)
-caData[8] = ('Phthalocyanine green (CAS#:1326-53-6)', 0.15, 1092.8)
-caData[9] = ('Ultramarine blue (CAS#:57445-37-5)', 3.3, 1100.)
-caData[10] = ('Pigment Yellow 138 (CAS#:30125-47-4)', 1.0, 693.96)
-caData[11] = ('Other metal oxide color additive', 1.0, 1100.0)
-caData[12] = ('Other non-metal oxide color additive', 1.0, 1100.0)
-caData[13] = ('Other color additive associated compound', 1.0, 1100.0)
-
-CAs = np.zeros(nCA, dtype='object')
-caMW = np.zeros(nCA, dtype='object')
-for i in range(nCA):
-    CAs[i] = caData[i][0].decode('UTF-8')
-for i in range(nCA):
-    caMW[i] = caData[i][2]
+from flask import Flask, render_template
 
 app = Flask(__name__)
-app.debug = False
+app.debug = True
 
+from color_module import blueprint
+app.register_blueprint(blueprint)
 
 @app.route('/', methods=['GET'])
 def app_init():
-    return render_template('index.html', polymers=polymers, CAs=CAs, caMW=caMW)
-
-
-@app.route('/', methods=['POST'])
-def app_post():
-    amount = float(request.form["amount"])
-    mass = float(request.form["mass"])
-    density = float(request.form["density"])
-    vol = mass / density
-    polymer = request.form["polymer"]
-    pIndex = (np.where(polymers == polymer)[0])[0]
-    area = float(request.form["area"])
-    exposure = request.form["exposure"]
-    CA = request.form["CA"]
-    caIndex = (np.where(CAs == CA)[0])[0]
-
-    TI = caData[caIndex][1]
-    impurity = 1.
-    MW = 1100.
-    isCA = True
-    chemName = ''
-
-    if caIndex < 11:
-        MW = caData[caIndex][2]
-        chemName = '*' + caData[caIndex][0].decode('UTF-8') + '*'
-        impurity = float(request.form["impurity"]) * amount * 1e-2
-    if caIndex == 11:
-        MW = caData[caIndex][2]
-        chemName = request.form["chemName"] if "chemName" in request.form else "CHEMICAL NAME NOT PROVIDED"
-        chemName = '*' + chemName + '*'
-        impurity = float(request.form["impurity"]) * amount * 1e-2
-    if caIndex == 12:
-        MW = float(request.form["MW"])
-        chemName = request.form["chemName"] if "chemName" in request.form else "CHEMICAL NAME NOT PROVIDED"
-        chemName = '*' + chemName + '*'
-        impurity = float(request.form["impurity"]) * amount * 1e-2
-    if caIndex == 13:
-        isCA = False
-        MW = float(request.form["MW"])
-        chemName = request.form["chemName"] if "chemName" in request.form else "CHEMICAL NAME NOT PROVIDED"
-        chemName = '*' + chemName + '*'
-
-    if exposure != "limited":
-        time = 24.
-    else:
-        time = float(request.form["exptime"])
-    if exposure != "long-term":
-        TTC = 0.12
-    else:
-        TTC = 0.0015
-
-    assume = np.array((request.form.get("assume1") is not None, request.form.get("assume2") is not None,
-                       request.form.get("assume3") is not None, request.form.get("assume4") is not None,
-                       request.form.get("assume5") is not None))
-
-    if not np.isnan(Ap[pIndex]):
-        diff = Piringer(MW, Ap[pIndex])
-    else:
-        diff = WilkeChang(MW)
-
-    release = SheetRelease(amount, vol, area, time, diff)
-
-    if caIndex > 10:
-        MOS = TTC / release
-    else:
-        MOS = 50. * TI / release
-
-    iMOS = TTC / impurity
-
-    release = SigFigs(release, 2)
-    MOS = SigFigs(MOS, 2)
-    diff = SigFigs(diff, 2)
-    iMOS = SigFigs(iMOS, 2)
-    impurity = SigFigs(impurity, 2)
-
-    return render_template('report.html', polymers=polymers, pIndex=pIndex, caIndex=caIndex, release=release,
-                           assume=assume,
-                           area=area, vol=vol, amount=amount, diff=diff, time=time, exposure=exposure, TTC=TTC,
-                           isCA=isCA, TI=TI, MOS=MOS,
-                           chemName=chemName, impurity=impurity, iMOS=iMOS)
-
+    return render_template('main.html')
 
 if __name__ == '__main__':
     app.run()

color_module/__init__.py

@@ -0,0 +1,5 @@
+from flask import Blueprint
+
+blueprint = Blueprint('color_module', __name__, template_folder='templates', static_folder='static', static_url_path='/color_module')
+
+from . import colors

color_module/colors.py

@@ -0,0 +1,121 @@
+from flask import Flask, render_template, request
+import numpy as np
+from functions import SigFigs, Piringer, WilkeChang, SheetRelease
+from . import blueprint
+from polymers import Polymers
+
+# load polymer data including Ap values
+polymers, Ap = Polymers()
+
+# Named color additives, TI values, and Mw
+nCA = 14
+caData = np.zeros((nCA,), dtype=[('name', 'a75'), ('TI', 'd'), ('MW', 'd')])
+caData[0] = ('Titanium dioxide (CAS#:13463-67-7)', 1.0, 1100.)
+caData[1] = ('Carbon black (CAS#:1333-86-4)', 2.0, 1100.)
+caData[2] = ('Pigment brown 24 (CAS#:68186-90-3)', 0.5, 1100.)
+caData[3] = ('Zinc Oxide (CAS#:1314-13-2)', 0.05, 1100.)
+caData[4] = ('Pigment Red 101 (CAS#: 1309-37-1)', 1.0, 1100.)
+caData[5] = ('Solvent violet 13 (CAS#:81-48-1)', 0.0013, 319.4)
+caData[6] = ('Manganese phthalocyanine (CAS#:14325-24-7)', 0.15, 567.5)
+caData[7] = ('Pigment blue 15 (CAS#:147-14-8)', 0.15, 576.1)
+caData[8] = ('Phthalocyanine green (CAS#:1326-53-6)', 0.15, 1092.8)
+caData[9] = ('Ultramarine blue (CAS#:57445-37-5)', 3.3, 1100.)
+caData[10] = ('Pigment Yellow 138 (CAS#:30125-47-4)', 1.0, 693.96)
+caData[11] = ('Other metal oxide color additive', 1.0, 1100.0)
+caData[12] = ('Other non-metal oxide color additive', 1.0, 1100.0)
+caData[13] = ('Other color additive associated compound', 1.0, 1100.0)
+
+CAs = np.zeros(nCA, dtype='object')
+caMW = np.zeros(nCA, dtype='object')
+for i in range(nCA):
+    CAs[i] = caData[i][0].decode('UTF-8')
+for i in range(nCA):
+    caMW[i] = caData[i][2]
+
+app = Flask(__name__)
+app.debug = False
+
+
+@blueprint.route('/color', methods=['GET'])
+def colors():
+    return render_template('index.html', polymers=polymers, CAs=CAs, caMW=caMW)
+
+
+@blueprint.route('/color', methods=['POST'])
+def app_post():
+    amount = float(request.form["amount"])
+    mass = float(request.form["mass"])
+    density = float(request.form["density"])
+    vol = mass / density
+    polymer = request.form["polymer"]
+    pIndex = (np.where(polymers == polymer)[0])[0]
+    area = float(request.form["area"])
+    exposure = request.form["exposure"]
+    CA = request.form["CA"]
+    caIndex = (np.where(CAs == CA)[0])[0]
+
+    TI = caData[caIndex][1]
+    impurity = 1.
+    MW = 1100.
+    isCA = True
+    chemName = ''
+
+    if caIndex < 11:
+        MW = caData[caIndex][2]
+        chemName = '*' + caData[caIndex][0].decode('UTF-8') + '*'
+        impurity = float(request.form["impurity"]) * amount * 1e-2
+    if caIndex == 11:
+        MW = caData[caIndex][2]
+        chemName = request.form["chemName"] if "chemName" in request.form else "CHEMICAL NAME NOT PROVIDED"
+        chemName = '*' + chemName + '*'
+        impurity = float(request.form["impurity"]) * amount * 1e-2
+    if caIndex == 12:
+        MW = float(request.form["MW"])
+        chemName = request.form["chemName"] if "chemName" in request.form else "CHEMICAL NAME NOT PROVIDED"
+        chemName = '*' + chemName + '*'
+        impurity = float(request.form["impurity"]) * amount * 1e-2
+    if caIndex == 13:
+        isCA = False
+        MW = float(request.form["MW"])
+        chemName = request.form["chemName"] if "chemName" in request.form else "CHEMICAL NAME NOT PROVIDED"
+        chemName = '*' + chemName + '*'
+
+    if exposure != "limited":
+        time = 24.
+    else:
+        time = float(request.form["exptime"])
+    if exposure != "long-term":
+        TTC = 0.12
+    else:
+        TTC = 0.0015
+
+    assume = np.array((request.form.get("assume1") is not None, request.form.get("assume2") is not None,
+                       request.form.get("assume3") is not None, request.form.get("assume4") is not None,
+                       request.form.get("assume5") is not None))
+
+    if not np.isnan(Ap[pIndex]):
+        diff = Piringer(MW, Ap[pIndex])
+    else:
+        diff = WilkeChang(MW)
+
+    release = SheetRelease(amount, vol, area, time, diff)
+
+    if caIndex > 10:
+        MOS = TTC / release
+    else:
+        MOS = 50. * TI / release
+
+    iMOS = TTC / impurity
+
+    release = SigFigs(release, 2)
+    MOS = SigFigs(MOS, 2)
+    diff = SigFigs(diff, 2)
+    iMOS = SigFigs(iMOS, 2)
+    impurity = SigFigs(impurity, 2)
+
+    return render_template('report.html', polymers=polymers, pIndex=pIndex, caIndex=caIndex, release=release,
+                           assume=assume,
+                           area=area, vol=vol, amount=amount, diff=diff, time=time, exposure=exposure, TTC=TTC,
+                           isCA=isCA, TI=TI, MOS=MOS,
+                           chemName=chemName, impurity=impurity, iMOS=iMOS)
+

color_module/static/styles.css

@@ -0,0 +1,42 @@
+body {font-family: Arial, Helvetica, sans-serif;}
+
+/* The Modal (background) */
+.modal {
+    display: none; /* Hidden by default */
+    position: fixed; /* Stay in place */
+    z-index: 1; /* Sit on top */
+    padding-top: 100px; /* Location of the box */
+    left: 0;
+    top: 0;
+    width: 100%; /* Full width */
+    height: 100%; /* Full height */
+    max-height: calc(100vh - 210px);
+    overflow: auto; /* Enable scroll if needed */
+    background-color: rgb(0,0,0); /* Fallback color */
+    background-color: rgba(0,0,0,0.4); /* Black w/ opacity */
+}
+
+/* Modal Content */
+.modal-content {
+    background-color: #fefefe;
+    margin: auto;
+    padding: 20px;
+    border: 1px solid #888;
+    width: 80%;
+}
+
+/* The Close Button */
+.close {
+    color: #aaaaaa;
+    float: right;
+    font-size: 28px;
+    font-weight: bold;
+}
+
+.close:hover,
+.close:focus {
+    color: #000;
+    text-decoration: none;
+    cursor: pointer;
+}
+

{templates → color_module/templates}/index.html

@@ -12,7 +12,7 @@
 </head>
 
 <header>
-  <h1 style="text-align:center">CHRIS: <font color="#0070C0">C</font>olor <font color="#0070C0">H</font>azard and <font color="#0070C0">RIS</font>k calculator</h1>
+  <h1 style="text-align:center"><font color="#0070C0">CH</font>emical <font color="#0070C0">RIS</font>k calculator (CHRIS) - Color additives </h1>
 </header>
 
 <p> For details on how to use CHRIS, please read the <a href="{{url_for('static', filename='README.html')}}"> instructions.</a> and

{templates → color_module/templates}/report.html

@@ -11,7 +11,7 @@
 </head>
 
 <header>
-   <h1 style="text-align:center"><font color="#0070C0">C</font>olor <font color="#0070C0">H</font>azard and <font color="#0070C0">RIS</font>k calculator (CHRIS) Report </h1>
+   <h1 style="text-align:center"><font color="#0070C0">CH</font>emical <font color="#0070C0">RIS</font>k calculator (CHRIS) Report - Color additives </h1>
 </header>
 
 <body>

templates/main.html

@@ -0,0 +1,41 @@
+<!DOCTYPE html>
+<html lang="en">
+<head>
+    <meta charset="UTF-8">
+    <title>CHRIS</title>
+
+</head>
+
+<img src="{{ url_for('static',filename='images/FDAlogo.png') }}" style="float: left;" height="100"/>
+<img src="{{ url_for('static',filename='images/FDAgraphic.png') }}" style="float: right;"  height="100"/>
+<br clear="all" />
+
+<header>
+  <h1 style="text-align:center">CHRIS: <font color="#0070C0">CH</font>emical <font color="#0070C0">RIS</font>k calculator</h1>
+</header>
+
+<body>
+
+<p>
+The CHemical RISk calculator (CHRIS) is a collection of MDDT-qualified modules to facilitate the use of physics-based models to estimate exposure
+as part of toxicological risk assessment (TRA) of medical device polymers.
+ </p>
+
+<p>
+Currently, there is only one MDDT-qualified module available.  However, there is a development version that includes additional modules
+    and functionality available here.
+ </p>
+
+<h2>Modules</h2>
+
+1. <a href="/color"> Color additives </a>
+
+<p>
+A tool to conduct screening level risk assessments to aid in the biocompatibility evaluation of polymeric medical device components
+    that contain color additives (CAs). These assessments can assist device manufacturers by providing instantaneous feedback on whether
+    the presence of CAs or other additives and impurities associated with CAs in a device would require additional justification and/or
+    testing to demonstrate acceptable biological risk.
+</p>
+
+
+</body>