本文整理汇总了C++中Bounds::minImage方法的典型用法代码示例。如果您正苦于以下问题：C++ Bounds::minImage方法的具体用法？C++ Bounds::minImage怎么用？C++ Bounds::minImage使用的例子？那么, 这里精选的方法代码示例或许可以为您提供帮助。您也可以进一步了解该方法所在类Bounds的用法示例。
在下文中一共展示了Bounds::minImage方法的4个代码示例，这些例子默认根据受欢迎程度排序。您可以为喜欢或者感觉有用的代码点赞，您的评价将有助于系统推荐出更棒的C++代码示例。
示例1: dist
double Molecule::dist(Molecule &other) {
double minSqr = 1e9; //large value;
Bounds bounds = state->bounds;
for (int id : ids) {
Vector pos = state->idToAtom(id).pos;
for (int idOther : other.ids) {
minSqr = fmin(minSqr, bounds.minImage((pos - state->idToAtom(idOther).pos)).lenSqr() );
}
}
return sqrt(minSqr);
}示例2: unwrap
void Molecule::unwrap() {
Vector weightedPos(0, 0, 0);
double sumMass = 0;
Vector firstPos = state->idToAtom(ids[0]).pos;
Bounds bounds = state->bounds;
for (int id : ids) {
int idx = state->idToIdx[id];
Atom &a = state->atoms[idx];
a.pos = firstPos + bounds.minImage(a.pos - firstPos);
}
}示例3: COM
Vector Molecule::COM() {
Vector weightedPos(0, 0, 0);
double sumMass = 0;
Vector firstPos = state->idToAtom(ids[0]).pos;
Bounds bounds = state->bounds;
for (int id : ids) {
Atom &a = state->idToAtom(id);
Vector pos = firstPos + bounds.minImage(a.pos - firstPos);
double mass = a.mass;
weightedPos += pos * mass;
sumMass += mass;
}
return weightedPos / sumMass;
}示例4: size
Vector Molecule::size() {
Vector firstPos = state->idToAtom(ids[0]).pos;
Vector lo = firstPos;
Vector hi = firstPos;
Bounds bounds = state->bounds;
for (int id : ids) {
Atom &a = state->idToAtom(id);
Vector pos = firstPos + bounds.minImage(a.pos - firstPos);
for (int i=0; i<3; i++) {
lo[i] = fmin(lo[i], pos[i]);
hi[i] = fmax(hi[i], pos[i]);
}
}
return hi - lo;
}