public void testRecursiveSort() {
double coords[][] = {{10, 41, 5}, {20, 42, 4}, {15, 44, 7}, {17, 45, 2}, {11, 0, -2}};
double correct[][] = {{10, 41, 5}, {17, 45, 2}, {20, 42, 4}, {15, 44, 7}, {11, 0, -2}};
// ignore first and last entries:
MolecularSort.recursiveSort(coords, 1, coords.length - 2);
assertEquals(correct, coords);
}
public void testSortCoordsByZ() {
double coords[][] = {{10, 41, 5}, {20, 42, 4}, {15, 44, 3}, {11, 0, -2}};
double correct[][] = {{11, 0, -2}, {15, 44, 3}, {20, 42, 4}, {10, 41, 5}};
MolecularSort.sortCoordsByZ(coords);
assertEquals(correct, coords);
}
public void testSwap() {
double coords[][] = {{10, 41, 80}, {20, 42, 84}, {15, 44, 87}, {17, 45, 82}, {11, 0, -2}};
double expected[][] = {{11, 0, -2}, {20, 42, 84}, {15, 44, 87}, {17, 45, 82}, {10, 41, 80}};
MolecularSort.swap(coords, 0, 4);
assertEquals(expected, coords);
}
public void testFindIndexOfZMinimum() {
double coords[][] = {{10, 41, 80}, {20, 42, 84}, {15, 44, 87}, {17, 45, 82}, {11, 0, -2}};
assertEquals(4, MolecularSort.findIndexOfZMinimum(coords, 0, 4));
assertEquals(4, MolecularSort.findIndexOfZMinimum(coords, 4, 4));
assertEquals(2, MolecularSort.findIndexOfZMinimum(coords, 2, 2));
}
