Camera::Camera(QVector3D position, QVector3D center, float width, float height,
float fovy, float zNear, float zFar)
{
m_world.lookAt(position, center, LocalUp);
mWidth = width;
mHeight = height;
mFOVy = fovy;
mZNear = zNear;
mZFar = zFar;
mCameraPosition = position;
mLookAtPosition = center;
mUpVector = QVector3D(0,1,0);
setModelMatrix(QVector3D(1,0,0),0,QVector3D(0,0,0),QVector3D(1,1,1));
setProjectionMatrix(mWidth, mHeight);
setViewMatrix(mCameraPosition, mLookAtPosition, mUpVector);
totalZoom = position.distanceToPoint(center);
}
inline void OpenGLWidget::drawBonds()
{
for (Bond *bond : m_molecule->bonds())
{
QVector3D fromPos = bond->fromAtom()->position();
QVector3D toPos = bond->toAtom()->position();
short order = bond->order();
// Following variables are used to calculate positions between bonds.
QVector3D tot = fromPos + toPos;
QVector3D diff = fromPos - toPos;
QVector3D cross1 = QVector3D::crossProduct(fromPos , toPos).normalized() / 4;
QVector3D cross2 = QVector3D::crossProduct(cross1 , diff).normalized() / 4;
double sqrt3_2 = sqrt(3) / 2;
for (int i = 0; i < order; ++i)
{
QMatrix4x4 model;
model.rotate(m_rotation);
switch (order)
{
case 1:
{
model.translate((tot) / 2.0);
break;
}
case 2:
{
if (i == 0)
model.translate((tot + cross2) / 2.0);
else if (i == 1)
model.translate((tot - cross2) / 2.0);
break;
}
case 3:
{
if (i == 0)
model.translate((tot + cross1) / 2.0);
if (i == 1)
model.translate((tot + (-cross1 / 2) + cross2 * sqrt3_2) / 2.0);
if (i == 2)
model.translate((tot + (-cross1 / 2) - cross2 * sqrt3_2) / 2.0);
break;
}
case 4:
{
if (i == 0)
model.translate((tot + cross1 + cross2) / 2.0);
else if (i == 1)
model.translate((tot - cross1 - cross2) / 2.0);
else if (i == 2)
model.translate((tot + cross1 - cross2) / 2.0);
else if (i == 3)
model.translate((tot - cross1 + cross2) / 2.0);
}
}
/**
* Bond angle calculation code is based on a pseudo code
* from http://www.thjsmith.com/40
*/
// This is the default direction for the cylinder
QVector3D y = QVector3D(0,1,0);
// Get diff between two points you want cylinder along
QVector3D p = (fromPos - toPos);
// Get CROSS product (the axis of rotation)
QVector3D t = QVector3D::crossProduct(y , p);
// Get angle. LENGTH is magnitude of the vector
double angle = 180 / M_PI * acos(QVector3D::dotProduct(y, p) / p.length());
// Rotate to align with two atoms
model.rotate(angle, t);
// Scale to fill up the distace between two atoms
float length = fromPos.distanceToPoint(toPos) / 2.0;
model.scale(0.04, length, 0.04);
m_program.setUniformValue(m_modelLocation, model);
m_program.setUniformValue(m_colorLocation, QVector3D(0.564706f, 0.564706f, 0.564706f));
// Draw cylinder geometry
m_bondMesh.render();
}
}
}
bool Tools::isInRange(QVector3D x, QVector3D y, float dist)
{
if (x.distanceToPoint(y) < dist) return true ;
}