void MultiPurposeDragArea::mouseMoveEvent(QMouseEvent * event)
{
if (modificationMode == wmm_none)
return;
emit newCoordinates(mapToGlobal(event->pos()));
}
void InternalCoordinatesTest::size()
{
chemkit::InternalCoordinates coordinates(1);
QCOMPARE(coordinates.size(), size_t(1));
chemkit::InternalCoordinates newCoordinates(coordinates);
QCOMPARE(newCoordinates.size(), size_t(1));
}
int main(){
printf("Enter coordinates - x, y, z:\n");
scanf("%d %d %d", &point.x, &point.y, &point.z);
newCoordinates();
printf("x = %d; y = %d; z = %d.\n", point.x, point.y, point.z);
}
void InternalCoordinatesTest::connections()
{
chemkit::InternalCoordinates newCoordinates(1);
QCOMPARE(newCoordinates.size(), size_t(1));
newCoordinates.setConnections(0, 1, 2, 3);
std::vector<size_t> connections = newCoordinates.connections(0);
QCOMPARE(connections[0], size_t(1));
QCOMPARE(connections[1], size_t(2));
QCOMPARE(connections[2], size_t(3));
}
void InternalCoordinatesTest::coordinates()
{
chemkit::InternalCoordinates newCoordinates(1);
QCOMPARE(newCoordinates.size(), size_t(1));
chemkit::Real r = 0.0;
chemkit::Real theta = 1.0;
chemkit::Real phi = 2.0;
newCoordinates.setCoordinates(0, r, theta, phi);
std::vector<chemkit::Real> coordinates = newCoordinates.coordinates(0);
QCOMPARE(coordinates[0], chemkit::Real(0.0));
QCOMPARE(coordinates[1], chemkit::Real(1.0));
QCOMPARE(coordinates[2], chemkit::Real(2.0));
}
void InternalCoordinatesTest::coordinatesRadians()
{
chemkit::InternalCoordinates newCoordinates(1);
QCOMPARE(newCoordinates.size(), size_t(1));
chemkit::Real r = 0.0;
chemkit::Real theta = 1.0;
chemkit::Real phi = 2.0;
newCoordinates.setCoordinatesRadians(0, r, theta, phi);
r = r * chemkit::constants::RadiansToDegrees;
theta = theta * chemkit::constants::RadiansToDegrees;
phi = phi * chemkit::constants::RadiansToDegrees;
std::vector<chemkit::Real> coordinates = newCoordinates.coordinates(0);
QCOMPARE(coordinates[0], r);
QCOMPARE(coordinates[1], theta);
QCOMPARE(coordinates[2], phi);
}
