This module defines classes for handling mode data.
A class to provide access to and operations on mode data.
Initialize mode object as part of an NMA model.
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Return a copy of array with shape (N, 3).
Return normal mode eigenvalue. For PCA and EDA models built using coordinate data in Å, unit of eigenvalues is Å2. For ANM and GNM, on the other hand, eigenvalues are in arbitrary or relative units but they correlate with stiffness of the motion along associated eigenvector.
Return a copy of the normal mode array (eigenvector).
Return variance along the mode. For PCA and EDA models built using coordinate data in Å, unit of variance is Å2. For ANM and GNM, on the other hand, variance is the inverse of the eigenvalue, so it has arbitrary or relative units.
Return 1.
A class to provide operations on a modified mode array. This class holds only mode array (i.e. eigenvector) data, and has no associations with an NMA instance. Scalar multiplication of Mode instance or addition of two Mode instances results in a Vector instance.
Instantiate with a name, an array, and a 3d flag.
Return a copy of array with shape (N, 3).
Return True if vector instance describes a 3-dimensional property, such as a deformation for a set of atoms.
Return number of atoms. For a 3-dimensional vector, returns length of the vector divided by 3.
Return 1.