Uses of Class
ffx.numerics.math.RunningStatistics
Package
Description
The Math package implements complex numbers, a software square root, and vector operations.
The Parsers package handles reading/writing files to/from the internal data structure.
The Utils package implements core functionality needed for using the Potential package, such as
opening and closing structure files, basic force field energy evaluations, etc.
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Uses of RunningStatistics in ffx.numerics.math
ModifierConstructorDescriptionBuilds a static view of a running statistic. -
Uses of RunningStatistics in ffx.potential.parsers
Modifier and TypeMethodDescriptionDistanceMatrixFilter.readDistanceMatrix
(String filename, int expectedRows, int expectedColumns) Read in the distance matrix from a file.DistanceMatrixFilter.readDistanceMatrix
(String filename, List<double[]> distanceList) Read in the distance matrix from a file. -
Uses of RunningStatistics in ffx.potential.utils
Modifier and TypeMethodDescriptionProgressiveAlignmentOfCrystals.comparisons
(int nAU, double inflationFactor, double matchTol, double hitTol, int zPrime, int zPrime2, String excludeAtomsA, String excludeAtomsB, boolean alphaCarbons, boolean includeHydrogen, boolean massWeighted, int crystalPriority, boolean strict, int saveClusters, double save, boolean restart, boolean write, boolean machineLearning, boolean inertia, boolean gyrationComponents, int linkage, double printSym, boolean lowMemory, boolean createFE, boolean writeSym, String pacFileName, StringBuilder symOpsA, StringBuilder symOpsB) Compare the crystals within the SystemFilters that were inputted into the constructor of this class.