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aakanksha-gubbala committed Apr 14, 2021
1 parent fcd6c38 commit 9ddfd8f
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Showing 15 changed files with 13 additions and 13 deletions.
Binary file modified __pycache__/correlations.cpython-38.pyc
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Binary file modified __pycache__/ddbst.cpython-38.pyc
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Binary file modified __pycache__/isobaric.cpython-38.pyc
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2 changes: 1 addition & 1 deletion correlations.py
Original file line number Diff line number Diff line change
Expand Up @@ -37,7 +37,7 @@ def main():

st.info("You have chosen %s and %s" % (compound1, compound2))

@st.cache(suppress_st_warning=True)
# @st.cache(suppress_st_warning=True)
def link_generator(i1, i2):
url = 'http://www.ddbst.com/en/EED/VLE/VLE%20' + compounds[i1] + '%3B' + compounds[i2] + '.php'
if requests.get(url).status_code == 404:
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2 changes: 1 addition & 1 deletion ddbst.py
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Expand Up @@ -38,7 +38,7 @@ def main():

st.info("You have chosen %s and %s" % (compound1, compound2))

@st.cache(suppress_st_warning=True)
# @st.cache(suppress_st_warning=True)
def link_generator(i1, i2):
url = 'http://www.ddbst.com/en/EED/VLE/VLE%20' + compounds[i1] + '%3B' + compounds[i2] + '.php'
if requests.get(url).status_code == 404:
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2 changes: 1 addition & 1 deletion isobaric.py
Original file line number Diff line number Diff line change
Expand Up @@ -43,7 +43,7 @@ def main():

st.info("You have chosen %s and %s" % (compound1, compound2))

@st.cache(suppress_st_warning=True)
# @st.cache(suppress_st_warning=True)
def link_generator(i1, i2):
url = 'http://www.ddbst.com/en/EED/VLE/VLE%20' + compounds[i1] + '%3B' + compounds[i2] + '.php'
if requests.get(url).status_code == 404:
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Binary file modified models/__pycache__/margules.cpython-38.pyc
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Binary file modified models/__pycache__/redlichkister.cpython-38.pyc
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Binary file modified models/__pycache__/vanlaar.cpython-38.pyc
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4 changes: 2 additions & 2 deletions models/margules.py
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Expand Up @@ -17,12 +17,12 @@ def gamma1(self, x, A, T):
def gamma2(self, x, A, T):
return np.exp(A * x ** 2 / (constants.R * T))

@st.cache(suppress_st_warning=True)
# @st.cache(suppress_st_warning=True)
def get_parameter(self, x, G_e):
A, params_cov = opt.curve_fit(self.Ge, x, G_e, p0=1000, maxfev=10000)
return A

@st.cache(suppress_st_warning=True)
# @st.cache(suppress_st_warning=True)
def get_accuracy(self, G_e, x1):
A = self.get_parameter(x1, G_e)
Ge = self.Ge(x1, A)
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4 changes: 2 additions & 2 deletions models/nrtl.py
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Expand Up @@ -17,12 +17,12 @@ def gamma1(self, x, A, B, T):
def gamma2(self, x, A, B, T):
return np.exp(B / ((constants.R * T) * (1 + (B * (1 - x)) / (A * x)) ** 2))

@st.cache(suppress_st_warning=True)
# @st.cache(suppress_st_warning=True)
def get_parameter(self, x, G_e):
[A, B], params_cov = opt.curve_fit(self.Ge, x, G_e, p0=[1000, 1000], maxfev=10000)
return [A, B]

@st.cache(suppress_st_warning=True)
# @st.cache(suppress_st_warning=True)
def get_accuracy(self, G_e, x1):
[A, B] = self.get_parameter(x1, G_e)
return metrics.r2_score(G_e, self.Ge(x1, A, B))
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4 changes: 2 additions & 2 deletions models/redlichkister.py
Original file line number Diff line number Diff line change
Expand Up @@ -17,12 +17,12 @@ def gamma1(self, x, A, B, T):
def gamma2(self, x, A, B, T):
return np.exp((A + B - 4 * B * (1 - x)) * (x) ** 2 / (constants.R * T))

@st.cache(suppress_st_warning=True)
# @st.cache(suppress_st_warning=True)
def get_parameter(self, x, G_e):
[A, B], params_cov = opt.curve_fit(self.Ge, x, G_e, p0=[1000, 1000], maxfev=10000)
return [A, B]

@st.cache(suppress_st_warning=True)
# @st.cache(suppress_st_warning=True)
def get_accuracy(self, G_e, x1):
[A, B] = self.get_parameter(x1, G_e)
Ge = self.Ge(x1, A, B)
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4 changes: 2 additions & 2 deletions models/vanlaar.py
Original file line number Diff line number Diff line change
Expand Up @@ -17,12 +17,12 @@ def gamma1(self, x, A, B, T):
def gamma2(self, x, A, B, T):
return np.exp(B / ((constants.R * T) * (1 + (B * (1 - x)) / (A * x)) ** 2))

@st.cache(suppress_st_warning=True)
# @st.cache(suppress_st_warning=True)
def get_parameter(self, x, G_e):
[A, B], params_cov = opt.curve_fit(self.Ge, x, G_e, p0=[1000,1000], maxfev=10000)
return [A, B]

@st.cache(suppress_st_warning=True)
# @st.cache(suppress_st_warning=True)
def get_accuracy(self, G_e, x1):
[A, B] = self.get_parameter(x1, G_e)
return metrics.r2_score(G_e, self.Ge(x1, A, B))
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4 changes: 2 additions & 2 deletions models/wohls.py
Original file line number Diff line number Diff line change
Expand Up @@ -28,12 +28,12 @@ def gamma1(self, z, A):
def gamma2(self, z, A):
return np.exp(2 * A * self.q2 * z ** 2)

@st.cache(suppress_st_warning=True)
# @st.cache(suppress_st_warning=True)
def get_parameter(self, x, G_e):
A, params_cov = opt.curve_fit(self.Ge, x, G_e, p0=1000, maxfev=10000)
return A

@st.cache(suppress_st_warning=True)
# @st.cache(suppress_st_warning=True)
def get_accuracy(self, G_e, x1):
A = self.get_parameter(x1, G_e)
Ge = self.Ge(x1, A)
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