void graph3d::grid_draw(void)
{
mesh_material::set_default();
VECT vn(0.0f,0.0f,-1.0f);
VECT vf(0.0f,0.0f, 1.0f);
GPIPE *p_gpipe = gpipe_get();
p_gpipe->screen_normal_to_world(&vn);
p_gpipe->screen_normal_to_world(&vf);
// v1->v2
VECT dir;
dir = vf-vn;
dir *= 0.5f;
vn += dir;
vn.y = 0.0f;
VECT vl(-1.0f,0.0f,1.0f);
VECT vr( 1.0f,0.0f,1.0f);
p_gpipe->screen_normal_to_world(&vl);
p_gpipe->screen_normal_to_world(&vr);
VECT width;
width = vr-vl;
draw_floor_line(&vn,width.size(),2,40);
}
//This calculates the potential energy of an Alavi Hydrogen at a particular centre of mass position and orientation
double CoulombPotential(interfaceStor *interface, H2_orient *lin_mol) {
double potential, q_centre, q_mol, V_ceil;
VECT zeroVec;
zeroVec.DIM(3);
zeroVec.COOR(0) = 0.0;
zeroVec.COOR(1) = 0.0;
zeroVec.COOR(2) = 0.0;
q_centre = interface->potential->centreCharge;
q_mol = interface->potential->molCharge;
V_ceil = interface->potential->coulombPotentialCeil;
potential = CoulombEng(zeroVec, q_centre, *(lin_mol->CM), q_mol);
//potential =0.0;
if (fabs(potential) > fabs(V_ceil)) {
potential = V_ceil;
}
return potential;
}
void VECT::CopyFrom(VECT& hg)
{
int nel = hg.Nelem();
if(!nel)
{
Free();
size = hg.Size();
return;
}
int s = hg.Size();
if(!s)
{
Free();
size = 0;
return;
}
Alloc(nel, s);
memcpy(ptr, hg.Ptr(), nbytes);
}
INT solve(INT n, INT k, INT a, INT b, INT c, INT r) {
VECT* m = new VECT();
MAP* used = new MAP();
gen(a, b, c, r, k, m, used);
VECT* unused = new VECT();
for (INT x = 0; x < 2*k; ++x) {
if (used->find(x) == used->end()) {
unused->push_back(x);
}
}
m->push_back((*unused)[0]);
(*used)[(*unused)[0]] = 1;
unused->pop_front();
INT last = m->size() - 1;
INT limit = 2 * k;
INT currval;
printf("limit = %lu\n", limit);
while (last != 2 * k) {
if (last % 100 == 0) {
printf("%d %lu\n", m->size(), last);
}
currval = (*m)[0];
if (unused->size() == 0) {
printf("Big bad error (n=%lu, k=%lu)\n", n, k);
return 0;
}
if (used->find(currval) == used->end()) {
(*used)[currval] = 0;
}
if ((*used)[currval] == 0) {
if (currval < (*unused)[0]) {
m->push_back(currval);
(*used)[currval] = 1;
} else {
m->push_back((*unused)[0]);
(*used)[(*unused)[0]] = 1;
unused->pop_front();
unused->push_back(currval);
sort(unused->begin(), unused->end());
}
} else if ((*used)[currval] > 1) {
(*used)[currval] -= 1;
m->push_back((*unused)[0]);
unused->pop_front();
} else if ((*used)[currval] == 1) {
if (currval < (*unused)[0]) {
m->push_back(currval);
} else {
(*used)[currval] = 0;
m->push_back((*unused)[0]);
(*used)[(*unused)[0]] = 1;
unused->pop_front();
unused->push_back(currval);
sort(unused->begin(), unused->end());
/*
x = (*unused)[unused->size() - 1];
while (true) {
if (used->find(x) == used->end()) {
unused->push_back(x);
break;
}
++x;
}// */
}
}
m->pop_front();
++last;
}
printf("Done...\n");
printf("m->size() = %lu\n", (INT)m->size());
return m->back();
}