From 5b1a01a45e2288370d27f4f3dfbcf92947fe84b0 Mon Sep 17 00:00:00 2001 From: Alex Kerr Date: Fri, 9 Dec 2016 20:14:10 -0600 Subject: [PATCH] Add ModeInspector.plot_ppation_base which serves as the base plotting function for participation ratios Should be used by the other ppation plotting method. --- kappa/conductivity.py | 23 +++++++++++++++++++---- 1 file changed, 19 insertions(+), 4 deletions(-) diff --git a/kappa/conductivity.py b/kappa/conductivity.py index d7caa8d..23c13ad 100644 --- a/kappa/conductivity.py +++ b/kappa/conductivity.py @@ -156,7 +156,23 @@ def tcond(self): def plot_mode(self, evec_index): from .plot import normal_modes - normal_modes(self.mol, self.evec[:self.N, evec_index]) + normal_modes(self.mol, self.evec[1][:self.N, evec_index]) + + def plot_ppation_base(self, indices): + + val = self.evec[0][indices] + vec = self.evec[1][:self.N,indices] + + num = np.sum((vec**2), axis=0)**2 + den = len(vec)*np.sum(vec**4, axis=0) + + fig = plt.figure() + + plt.plot(val, num/den, 'bo') + + fig.suptitle("Val vs p-ratio of selected modes") + + plt.show() def plot_ppation(self): @@ -164,9 +180,7 @@ def plot_ppation(self): pprint.pprint(kappaList) - N = len(self.mol.posList) - - vec = vec[:N,:] + vec = vec[:self.N,:] num = np.sum((vec**2), axis=0)**2 den = len(vec)*np.sum(vec**4, axis=0) @@ -233,6 +247,7 @@ def plot_contrib_mode(self, kappa_index): dict_ = self.kappaList[kappa_index] sigma, tau = dict_['sigma'], dict_['tau'] + print(sigma, tau) self.plot_mode(sigma) self.plot_mode(tau)