本文整理汇总了C++中Molecule::getAtomPos方法的典型用法代码示例。如果您正苦于以下问题：C++ Molecule::getAtomPos方法的具体用法？C++ Molecule::getAtomPos怎么用？C++ Molecule::getAtomPos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Molecule的用法示例。
在下文中一共展示了Molecule::getAtomPos方法的2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: edge_intersection
bool edge_intersection (const Molecule &mol, int edge1_idx, int edge2_idx, Vec2f &p)
{
const Edge &edge1 = mol.getEdge(edge1_idx);
const Edge &edge2 = mol.getEdge(edge2_idx);
if (edge1.beg == edge2.beg || edge1.beg == edge2.end || edge1.end == edge2.beg || edge1.end == edge2.end)
return false;
Vec2f v1_1(mol.getAtomPos(edge1.beg).x, mol.getAtomPos(edge1.beg).y);
Vec2f v1_2(mol.getAtomPos(edge1.end).x, mol.getAtomPos(edge1.end).y);
Vec2f v2_1(mol.getAtomPos(edge2.beg).x, mol.getAtomPos(edge2.beg).y);
Vec2f v2_2(mol.getAtomPos(edge2.end).x, mol.getAtomPos(edge2.end).y);
return Vec2f::intersection(v1_1, v1_2, v2_1, v2_2, p);
}示例2: convertMolfile
void convertMolfile (char *path, char *filename, FileOutput &cpp_file)
{
FileScanner molfile("%s\\%s", path, filename);
MolfileLoader mf_loader(molfile);
Molecule mol;
QS_DEF(Array<int>, edges);
printf("%s\n", filename);
mf_loader.loadMolecule(mol, true);
BiconnectedDecomposer bd(mol);
if (bd.decompose() != 1)
{
printf("Error: %s is not biconnected\n", filename);
return;
}
int i, j;
edges.clear_reserve(mol.edgeCount());
for (i = mol.edgeBegin() ; i < mol.edgeEnd(); i = mol.edgeNext(i))
edges.push(i);
edges.qsort(edge_cmp, &mol);
const Edge &edge = mol.getEdge(edges[edges.size() / 2]);
Vec3f v1 = mol.getAtomPos(edge.beg);
Vec3f v2 = mol.getAtomPos(edge.end);
v1.z = 0.f;
v2.z = 0.f;
float scale = Vec3f::dist(v1, v2);
if (scale < 0.0001f)
{
printf("Error: %s has zero bond\n", filename);
return;
}
scale = 1.f / scale;
int first_idx = mol.vertexBegin();
Vec3f pos = mol.getAtomPos(first_idx);
for (i = mol.vertexNext(first_idx); i < mol.vertexEnd(); i = mol.vertexNext(i))
{
if (mol.getAtomPos(i).y < pos.y)
{
pos = mol.getAtomPos(i);
first_idx = i;
}
}
for (i = mol.vertexBegin() ; i < mol.vertexEnd(); i = mol.vertexNext(i))
{
mol.getAtom2(i).pos.sub(pos);
mol.getAtom2(i).pos.scale(scale);
}
char buf[1024];
sprintf_s(buf, "BEGIN_PATTERN(\"%s\")", filename);
cpp_file.writeStringCR(buf);
for (i = mol.vertexBegin(); i < mol.vertexEnd(); i = mol.vertexNext(i))
{
sprintf_s(buf, " ADD_ATOM(%d, %ff, %ff)", i, mol.getAtomPos(i).x, mol.getAtomPos(i).y);
cpp_file.writeStringCR(buf);
}
for (i = mol.edgeBegin(); i < mol.edgeEnd(); i = mol.edgeNext(i))
{
const Edge &edge = mol.getEdge(i);
int type = mol.getBond(i).type;
int qtype = mol.getQueryBond(i).type;
sprintf_s(buf, " ADD_BOND(%d, %d, %d)", edge.beg, edge.end, qtype != 0 ? qtype : type);
cpp_file.writeStringCR(buf);
}
Vec2f v, inter;
Vec2f pos_i;
int idx = mol.vertexCount();
i = first_idx;
float max_angle, cur_angle;
float i_angle = 0;
int next_nei = 0;
int point_idx = 0;
pos_i.set(mol.getAtomPos(i).x, mol.getAtomPos(i).y);
while (true)
//.........这里部分代码省略.........