updated function names

color_module/colors.py

@@ -1,34 +1,15 @@
 import numpy as np
 from flask import render_template, request
-from functions import *
+from functions import SigFigs, Piringer, WilkeChang, SheetRelease
 from . import blueprint
+from polymers import Polymers
 
-# Named polymer matrices and category numbers
-nPoly = 20
-PolyData = np.zeros((nPoly,), dtype=[('name', 'a75'), ('Category', 'i')])
-PolyData[0] = ('Silicone', 0)
-PolyData[1] = ('Polyethylene (density <= 0.94 g/cm3)', 1)
-PolyData[2] = ('Polyethylene (density > 0.94 g/cm3)', 2)
-PolyData[3] = ('Polyethylene terephthalate', 3)
-PolyData[4] = ('Polyurethane (polyether)', 1)
-PolyData[5] = ('Polycarbonate', 3)
-PolyData[6] = ('Polyoxymethylene', 2)
-PolyData[7] = ('Poly(methyl methacrylate)', 3)
-PolyData[8] = ('Acrylonitrile butadiene styrene', 2)
-PolyData[9] = ('Polyether block amide', 1)
-PolyData[10] = ('Polyamide', 3)
-PolyData[11] = ('Polystyrene', 3)
-PolyData[12] = ('Polyvinyl chloride (plasticized)', 0)
-PolyData[13] = ('Polytetrafluoroethylene', 2)
-PolyData[14] = ('Polyvinyl acetate', 1)
-PolyData[15] = ('Polypropylene', 2)
-PolyData[16] = ('Polybutylene terephthalate', 3)
-PolyData[17] = ('Polyetheretherketone', 3)
-PolyData[18] = ('Fluorinated ethylene propylene', 2)
-PolyData[19] = ('Other polymer', 4)
+# load polymer data including Ap values
+polymers, Ap = Polymers()
 
+# load color additive information
 nCA = 14
-caData = np.zeros((nPoly,), dtype=[('name', 'a75'), ('TI', 'd'), ('MW', 'd')])
+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.)
@@ -44,15 +25,11 @@ 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 compound (non-color additive)', 1.0, 1100.0)
 
-polymers = np.zeros(nPoly, dtype='object')
-for i in range(nPoly):
-    polymers[i] = PolyData[i][0].decode('UTF-8')
-
+# convert to a format the html likes
 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]
 
 @blueprint.route('/color', methods=['GET'])
@@ -103,15 +80,16 @@ def app_post():
     else:
         TTC = 0.0015
 
-    assume1 = request.form.get("assume1") is not None
-    assume2 = request.form.get("assume2") is not None
-    assume3 = request.form.get("assume3") is not None
-    assume4 = request.form.get("assume4") is not None
-    assume5 = request.form.get("assume5") is not None
+    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))
 
-    assume = np.array((assume1, assume2, assume3, assume4, assume5))
+    if not np.isnan(Ap[pIndex]):
+        diff = Piringer(MW, Ap[pIndex])
+    else:
+        diff = WilkeChang(MW)
 
-    release, diff = calcexposure(MW, amount, vol, area, time, pIndex, PolyData)
+    release = SheetRelease(amount, vol, area, time, diff)
 
     if caIndex > 10:
         MOS = TTC / release
@@ -120,11 +98,11 @@ def app_post():
 
     iMOS = TTC / impurity
 
-    release = sigfigs(release, 2)
-    MOS = sigfigs(MOS, 2)
-    diff = sigfigs(diff, 2)
-    iMOS = sigfigs(iMOS, 2)
-    impurity = sigfigs(impurity, 2)
+    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,

exposure_module/exposure.py

@@ -1,42 +1,18 @@
 import numpy as np
 from flask import render_template, request
-from functions import *
+from functions import SigFigs, Piringer, WilkeChang, SheetRelease, SheetRates, RatePlot
 from . import blueprint
+from polymers import Polymers
 
-# Named polymer matrices and category numbers
-nPoly = 20
-PolyData = np.zeros((nPoly,), dtype=[('name', 'a75'), ('Ap', 'f')])
-PolyData[0] = ('Silicone', 16.9)
-PolyData[1] = ('Polyethylene (density <= 0.94 g/cm3)', 11.7)
-PolyData[2] = ('Polyethylene (density > 0.94 g/cm3)', 8.2)
-PolyData[3] = ('Polyethylene terephthalate', 2.6)
-PolyData[4] = ('Polyurethane (polyether)', 11.7)
-PolyData[5] = ('Polycarbonate', 2.6)
-PolyData[6] = ('Polyoxymethylene', 8.2)
-PolyData[7] = ('Poly(methyl methacrylate)', 3)
-PolyData[8] = ('Acrylonitrile butadiene styrene', 8.2)
-PolyData[9] = ('Polyether block amide', 11.7)
-PolyData[10] = ('Polyamide', 2.6)
-PolyData[11] = ('Polystyrene', 2.6)
-PolyData[12] = ('Polyvinyl chloride (plasticized)', 16.9)
-PolyData[13] = ('Polytetrafluoroethylene', 8.2)
-PolyData[14] = ('Polyvinyl acetate', 11.7)
-PolyData[15] = ('Polypropylene', 8.2)
-PolyData[16] = ('Polybutylene terephthalate', 2.6)
-PolyData[17] = ('Polyetheretherketone', 2.6)
-PolyData[18] = ('Fluorinated ethylene propylene', 8.2)
-PolyData[19] = ('Other polymer', None)
-
-# Convert the list to a format the html likes
-polymers = np.zeros(nPoly, dtype='object')
-for i in range(nPoly):
-    polymers[i] = PolyData[i][0].decode('UTF-8')
+# load polymer data including Ap values
+polymers, Ap = Polymers()
 
 # load the index page for the exposure module
 @blueprint.route('/exposure', methods=['GET'])
 def exposure():
     return render_template('exposure_index.html', polymers=polymers)
 
+
 # build the report page for the exposure module
 @blueprint.route('/exposure', methods=['POST'])
 def exp_post():
@@ -60,26 +36,22 @@ def exp_post():
     else:
         TTC = 0.0015
 
-    assume1 = request.form.get("assume1") is not None
-    assume2 = request.form.get("assume2") is not None
-    assume3 = request.form.get("assume3") is not None
-    assume4 = request.form.get("assume4") is not None
-    assume5 = request.form.get("assume5") is not None
-    assume = np.array((assume1, assume2, assume3, assume4, assume5))
+    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))
 
-    Ap = PolyData[pIndex][1]
-    if not np.isnan(Ap):
-        diff = piringer(MW, Ap)
+    if not np.isnan(Ap[pIndex]):
+        diff = Piringer(MW, Ap[pIndex])
     else:
-        diff = wilkechang(MW)
+        diff = WilkeChang(MW)
 
     release = SheetRelease(amount, vol, area, time, diff)
 
     MOS = TTC / release
 
-    release = sigfigs(release, 2)
-    MOS = sigfigs(MOS, 2)
-    diff = sigfigs(diff, 2)
+    release = SigFigs(release, 2)
+    MOS = SigFigs(MOS, 2)
+    diff = SigFigs(diff, 2)
 
     # Generate the rate plot using matplotlib
     tarray = np.arange(1., 31., 1.)
@@ -88,4 +60,4 @@ def exp_post():
 
     return render_template('exposure_report.html', polymers=polymers, pIndex=pIndex, release=release,
                            assume=assume, area=area, vol=vol, amount=amount, diff=diff, time=time, exposure=exposure, TTC=TTC,
-                           MOS=MOS, chemName=chemName, image=pngImageB64String)
+                           MOS=MOS, chemName=chemName, image=pngImageB64String)

functions.py

@@ -7,15 +7,15 @@ import matplotlib.pyplot as plt
 import io
 import base64
 
-def sigfigs(number, n):
+def SigFigs(number, n):
 
     return round(number, n - int(math.floor(math.log10(math.fabs(number)))) - 1)
 
-def piringer(Mw, Ap):
+def Piringer(Mw, Ap):
 
     return 1e4 * np.exp(Ap - 0.1351 * Mw ** (2. / 3.) + 0.003 * Mw - 10454. / 310.)
 
-def wilkechang(Mw):
+def WilkeChang(Mw):
 
     Va = 4.76 + 1.32 * Mw
     return 7.4e-8 * (18. * 2.6) ** 0.5 * 310. / 0.6913 / Va ** 0.6
@@ -69,20 +69,3 @@ def RatePlot(tarray, rates):
 
     return pngImageB64String
 
-def calcexposure(MW, amount, vol, area, time, pIndex, PolyData):
-    Ap = np.array((16.9, 11.7, 8.2, 2.6))
-    L = vol / area
-    if PolyData[pIndex][1] < 4:
-        D = 1e4 * np.exp(Ap[PolyData[pIndex][1]] - 0.1351 * MW ** (2. / 3.) + 0.003 * MW - 10454. / 310.)
-    else:
-        Va = 4.76 + 1.32 * MW
-        D = 7.4e-8 * (18. * 2.6) ** 0.5 * 310. / 0.6913 / Va ** 0.6
-
-    D = D * 3600.
-    tau = D * time / L ** 2.
-    if tau <= 0.5:
-        release = 2. * amount * np.sqrt(tau / np.pi)
-    else:
-        release = amount * (1. - (8. / (np.pi ** 2.)) * np.exp(-tau * np.pi ** 2. / 4.))
-
-    return release, D

polymers.py

@@ -0,0 +1,36 @@
+import numpy as np
+
+def Polymers():
+
+	# Named polymer matrices and Ap values
+	nPoly = 20
+	PolyData = np.zeros((nPoly,), dtype=[('name', 'a75'), ('Ap', 'f')])
+	PolyData[0] = ('Silicone', 16.9)
+	PolyData[1] = ('Polyethylene (density <= 0.94 g/cm3)', 11.7)
+	PolyData[2] = ('Polyethylene (density > 0.94 g/cm3)', 8.2)
+	PolyData[3] = ('Polyethylene terephthalate', 2.6)
+	PolyData[4] = ('Polyurethane (polyether)', 11.7)
+	PolyData[5] = ('Polycarbonate', 2.6)
+	PolyData[6] = ('Polyoxymethylene', 8.2)
+	PolyData[7] = ('Poly(methyl methacrylate)', 3)
+	PolyData[8] = ('Acrylonitrile butadiene styrene', 8.2)
+	PolyData[9] = ('Polyether block amide', 11.7)
+	PolyData[10] = ('Polyamide', 2.6)
+	PolyData[11] = ('Polystyrene', 2.6)
+	PolyData[12] = ('Polyvinyl chloride (plasticized)', 16.9)
+	PolyData[13] = ('Polytetrafluoroethylene', 8.2)
+	PolyData[14] = ('Polyvinyl acetate', 11.7)
+	PolyData[15] = ('Polypropylene', 8.2)
+	PolyData[16] = ('Polybutylene terephthalate', 2.6)
+	PolyData[17] = ('Polyetheretherketone', 2.6)
+	PolyData[18] = ('Fluorinated ethylene propylene', 8.2)
+	PolyData[19] = ('Other polymer', None)
+
+	# Convert the list to a format the html likes
+	polymers = np.zeros(nPoly, dtype='object')
+	Ap = np.zeros(nPoly)
+	for i in range(nPoly):
+		polymers[i] = PolyData[i][0].decode('UTF-8')
+		Ap[i] = PolyData[i][1]
+
+	return polymers, Ap