def numberOfSilanol(this, A, t, simulation = -1, states = "all", label = ''): length = this.stateNumbers[simulation]; runName = this.simulations[simulation]; N = mda.silanolGroups(runName, length, states); if(states == "all"): states = np.arange(0, last + 1); #end print np.shape(N), np.shape(t); mdplot.plotSilanol(this.path, N, t, A, label = label); return t, N;
def numberOfSilanol(this, simulation = -1, states = "all"): length = this.stateNumbers[simulation]; runName = this.simulations[simulation]; return mda.silanolGroups(runName, length, states);