glm::vec3 indirect(const Ray &rOrigine, const Ray &rReflect, const glm::vec3 &p, const glm::vec3 & n, int countdown, const Diffuse &diffuse) {
float pdf;
glm::vec3 w = glm::normalize(sample_sphere(1, random_u(), random_u(), pdf, n));
Ray rIndirect{p+0.1f*w, w};
return radiance(rIndirect, countdown);
//return glm::vec3(0,0,0);
}
glm::vec3 radiance (const Ray & r, int iterations = 3)
{
float t = 1.0f;
glm::vec3 normale, normale2;
Object* o = intersect(r, t, normale);
if (t == noIntersect)
return glm::vec3(0,0,0);
glm::vec3 pointIntersection = r.origin + t*r.direction;
// Calcul pour les ombres douces, point aléatoire de lumière autour de scene::light
float pdf = 0;
glm::vec3 normaleSphereLumiere = glm::normalize(pointIntersection - scene::light);
glm::vec3 vecLumiere = sample_sphere(10, random_u(), random_u(), pdf, normaleSphereLumiere);
glm::vec3 light = scene::light + vecLumiere;
glm::vec3 directionLum = light - pointIntersection;
glm::vec3 directionLumNormalize = glm::normalize(directionLum);
Ray rayLum{pointIntersection+directionLumNormalize*0.1f, directionLumNormalize};
intersect(rayLum, t, normale2);
glm::vec3 direct(0,0,0);
if (t*t > longueurCarree(directionLum))
{
direct = o->direct(normale, directionLumNormalize) / (pdf*longueurCarree(directionLum));
}
glm::vec3 indirect(0,0,0);
if (iterations > 0)
indirect = o->indirect(r.direction, pointIntersection, normale, iterations);
return direct + indirect;
}
glm::vec3 indirect(const glm::vec3 &c, const glm::vec3 &p, const glm::vec3 &n, const Diffuse &diffuse, int iterations)
{
float pdf;
glm::vec3 directionRay = sample_sphere(1, random_u(), random_u(), pdf, n);
Ray ray{p+directionRay*0.1f, directionRay};
return radiance(ray, iterations-1) * diffuse.color;
}
void exoSamplingMonteCarlo() {
float xuni = 0;
float xboxmuller = 0;
int it = 100;
float ecartType = 0.7;
for(int i = 0; i < it; ++i){
xuni += cos(pi*random_u()-(pi/2))*pi;
float val = sqrt(-2*log(random_u()))*cos(2*pi*random_u())*ecartType;
if(val >= -pi/2 && val <= pi/2)
xboxmuller += (cos(val))/((1/(ecartType*sqrt(2*pi)))*exp(-(val*val)/(2*ecartType*ecartType)));
}
std::cout << (xuni/it) << ", " << (xboxmuller/it) << std::endl;
}
void monteCarloGaussien()
{
float value = 0;
int echantillons = 100;
float ecartType = 0.7;
for (int i = 0; i < echantillons; i++)
{
float xi = sqrt(-2*log(random_u()))*cos(2*pi*random_u())*ecartType;
if (xi <= pi/2 && xi >= -pi/2)
{
float pdfi = 1/(ecartType*sqrt(2*pi))*exp(-xi*xi/(2*ecartType*ecartType));
value += cos(xi)/pdfi;
}
}
std::cout << value/echantillons << std::endl;
}
glm::vec3 indirect(const glm::vec3 &c, const glm::vec3 &p, const glm::vec3 &n, const Glass &glass, int iterations)
{
float ior = 1.5f;
// Calcul du rayon réfléchi
glm::vec3 direction = reflect(c,n);
glm::vec3 directionNorm = glm::normalize(direction);
Ray rayReflexion{p+directionNorm*0.1f, directionNorm};
// Calcul du rayon réfracté
glm::vec3 vecRefract;
refract(-c, n, ior, vecRefract);
Ray rayRefraction{p+vecRefract*0.1f, vecRefract};
// Calcul du coefficient reflechi/refracte
float coeff = fresnelR(-c, n, ior);
float rand = random_u();
if (rand < coeff)
{
return radiance(rayReflexion, iterations-1);
}
return radiance(rayRefraction, iterations-1) * glass.color;
//return radiance(rayReflexion, iterations-1) * coeff + radiance(rayRefraction, iterations-1) * (1- coeff);
}
void monteCarloGaussienXYZ()
{
float value = 0;
int echantillons = 100;
float ecartType = 0.7;
for (int i = 0; i < echantillons; i++)
{
float xi = sqrt(-2*log(random_u()))*cos(2*pi*random_u())*ecartType;
float yi = sqrt(-2*log(random_u()))*cos(2*pi*random_u())*ecartType;
float zi = random_u()*pi-pi/2;
if (xi <= pi/2 && xi >= -pi/2 && yi <= pi/2 && yi >= -pi/2)
{
float pdfiX = 1/(ecartType*sqrt(2*pi))*exp(-xi*xi/(2*ecartType*ecartType));
float pdfiY = 1/(ecartType*sqrt(2*pi))*exp(-yi*yi/(2*ecartType*ecartType));
float pdfiZ = 1/pi;
value += cos(xi*yi)*zi/(pdfiX*pdfiY*pdfiZ);
}
}
std::cout << value/echantillons << std::endl;
}
void monteCarloUniforme()
{
float value = 0;
int echantillons = 100;
for (int i = 0; i < echantillons; i++)
{
float xi = pi*random_u()-pi/2;
value += cos(xi)*pi; // pdf(xi) = 1/pi
}
std::cout << value/echantillons << std::endl;
}
glm::vec3 indirect(const Ray &rOrigine, const Ray &rReflect, const glm::vec3 &p, const glm::vec3 & n, int countdown, const Glass &glass) {
float fresnel = fresnelR(-rOrigine.direction,n, 1.5);
glm::vec3 refracted;
bool canRefract = refract(-rOrigine.direction, n, 1.5, refracted);
Ray rRefracted{p+refracted*0.1f, refracted};
if(canRefract) {
float u = random_u();
if(u < fresnel)
return radiance(rReflect, countdown);
else
return radiance(rRefracted, countdown);
}
//return fresnel*radiance(rReflect, countdown)+(1-fresnel)*radiance(rRefracted, countdown);
else
return fresnel*radiance(rReflect, countdown);
}
int main (int, char **)
{
QTime timer;
timer.start();
int w = 768, h = 768;
int samplesLight = 1;
int samplesAliasing = 1;
std::vector<glm::vec3> colors(w * h, glm::vec3{0.f, 0.f, 0.f});
Ray cam {{50, 52, 295.6}, glm::normalize(glm::vec3{0, -0.042612, -1})}; // cam pos, dir
float near = 1.f;
float far = 10000.f;
glm::mat4 camera =
glm::scale(glm::mat4(1.f), glm::vec3(float(w), float(h), 1.f))
* glm::translate(glm::mat4(1.f), glm::vec3(0.5, 0.5, 0.f))
* glm::perspective(float(54.5f * pi / 180.f), float(w) / float(h), near, far)
* glm::lookAt(cam.origin, cam.origin + cam.direction, glm::vec3(0, 1, 0))
;
glm::mat4 screenToRay = glm::inverse(camera);
#pragma omp parallel for schedule(dynamic)
for (int y = 0; y < h; y++)
{
std::cerr << "\rRendering: " << 100 * y / (h - 1) << "%";
for (unsigned short x = 0; x < w; x++)
{
glm::vec3 r(0,0,0);
for (int samplesA = 0; samplesA < samplesAliasing; ++samplesA)
{
float aleaX = random_u()-0.5;
float aleaY = random_u()-0.5;
glm::vec4 p0 = screenToRay * glm::vec4{float(x + aleaX), float(h - y + aleaY), 0.f, 1.f};
glm::vec4 p1 = screenToRay * glm::vec4{float(x + aleaX), float(h - y + aleaY), 1.f, 1.f};
glm::vec3 pp0 = glm::vec3(p0 / p0.w);
glm::vec3 pp1 = glm::vec3(p1 / p1.w);
glm::vec3 d = glm::normalize(pp1 - pp0);
for (int samplesL = 0; samplesL < samplesLight; ++samplesL) {
r += radiance (Ray{pp0, d});
}
}
r = r/float(samplesLight*samplesAliasing);
colors[y * w + x] += glm::clamp(r, glm::vec3(0.f, 0.f, 0.f), glm::vec3(1.f, 1.f, 1.f));// * 0.25f;
}
}
std::cout << "\n" << timer.elapsed()/1000.0 << "s" << std::endl;
{
std::fstream f("image.ppm", std::fstream::out);
f << "P3\n" << w << " " << h << std::endl << "255" << std::endl;
for (auto c : colors)
f << toInt(c.x) << " " << toInt(c.y) << " " << toInt(c.z) << " ";
}
}
void random_config( void ) {
int i, m, j, k, ind = 0 ;
int tmp_dr[Dim];
for ( k=0 ; k<nD ; k++ ) {
for ( j=0 ; j<Dim ; j++ )
x[ind][j] = ran2() * L[j] ;
x[ind][2] = ran2()*(L[2]-2*wall_thick)*(1-phiHA-phiHB-phiP-phiHC-phisol) + wall_thick;
tp[ ind ] = ( Nda > 0 ? 0 : 1 ) ;
ind += 1 ;
for ( m=1 ; m<Nda + Ndb ; m++ ) {
for ( j=0 ; j<Dim ; j++ ) {
x[ind][j] = x[ ind-1 ][ j ] + gasdev2() ;
if ( x[ind][j] > L[j] )
x[ind][j] -= L[j] ;
else if ( x[ind][j] < 0.0 )
x[ind][j] += L[j] ;
}
x[ind][2] = x[ind-1][2];
tp[ ind ] = ( m < Nda ? 0 : 1 ) ;
ind++ ;
}
}
// Random A homopolymers //
for ( k=0 ; k<nA ; k++ ) {
for ( j=0 ; j<Dim ; j++ )
x[ind][j] = ran2() * L[j] ;
tp[ ind ] = 0 ;
ind += 1 ;
for ( m=1 ; m<Nha ; m++ ) {
for ( j=0 ; j<Dim ; j++ ) {
x[ind][j] = x[ ind-1 ][ j ] + gasdev2() ;
if ( x[ind][j] > L[j] )
x[ind][j] -= L[j] ;
else if ( x[ind][j] < 0.0 )
x[ind][j] += L[j] ;
}
tp[ ind ] = 0 ;
ind++ ;
}
}
// Random B homopolymers //
for ( k=0 ; k<nB ; k++ ) {
for ( j=0 ; j<Dim ; j++ )
x[ind][j] = ran2() * L[j] ;
tp[ ind ] = 1 ;
ind += 1 ;
for ( m=1 ; m<Nhb ; m++ ) {
for ( j=0 ; j<Dim ; j++ ) {
x[ind][j] = x[ ind-1 ][ j ] + gasdev2() ;
if ( x[ind][j] > L[j] )
x[ind][j] -= L[j] ;
else if ( x[ind][j] < 0.0 )
x[ind][j] += L[j] ;
}
tp[ ind ] = 1 ;
ind++ ;
}
}
// Random particle centers, graft locations //
for ( k=0 ; k<nP ; k++ ) {
int center_ind , gind,prev_graft ;
double u[Dim] ;
for ( j=0 ; j<Dim ; j++ )
x[ind][j] = ran2() * L[j] ;
x[ind][2] = ran2()*((L[2]-2*wall_thick)*(1-phiHA-phiHB-phiP-phiHC-phisol) - 2*Rp) + wall_thick+Rp;
for(j=0 ; j<3 ; j++) {
euler_ang[k][j] = 0;
euler_q[k][j+1] = 0;
}
euler_q[k][0] = 1;
// euler_ang[k][0] = PI/2.0;
tp[ ind ] = 2 ;
center_ind = ind ;
ind += 1 ;
for ( m=0 ; m<ng_per_partic ; m++ ) {
// Place the grafting site //
if(uni_sig ==1) { //fibonacci grafting sites
fibonacci_u ( u , m );
gind = k*ng_per_partic + m;
if(k==0 and m==0)cout<<"fibonacci grafting is used"<<endl;
}
else if(uni_sig ==2) { //uniform grafting
unif_sig ( u , m );
gind = k*ng_per_partic + m;
if(k==0 and m==0)cout<<"uniform grafting is used"<<endl;
}
else { //random grafting sites
random_u( u ) ;
gind = k*ng_per_partic + m;
if(k==0 and m==0)cout<<"random grafting is used"<<endl;
}
for ( j=0 ; j<Dim ; j++ ) {
x[ind][j] = x[center_ind][j] + Rp * u[j] ;
grf_bf_x[gind][j] = Rp * u[j];
if ( x[ind][j] > L[j] )
x[ind][j] -= L[j] ;
else if ( x[ind][j] < 0.0 )
x[ind][j] += L[j] ;
}
// cout<<" ng "<<m<<" "<<x[ind][0]<<" "<<x[ind][1]<<" "<<x[ind][2]<<endl;
tp[ ind ] = -1 ;
if ( m > 0 ) {
double mdr2, dr[Dim], mdr ;
mdr2 = pbc_mdr2( x[ prev_graft ] , x[ ind ] , dr ) ;
mdr = sqrt( mdr2 ) ;
graft_req[k][m-1] = mdr ;
}
prev_graft = ind ;
ind++ ;
// Place the chain grafted to this site
for ( i=0 ; i<Ng ; i++ ) {
for ( j=0 ; j<Dim ; j++ ) {
x[ind][j] = x[ind-1][j] + 0.5 * u[j] ;
if ( x[ind][j] > L[j] )
x[ind][j] -= L[j] ;
else if ( x[ind][j] < 0.0 )
x[ind][j] += L[j] ;
}
tp[ ind ] = 0 ;
ind++ ;
}
}
}
// Random C homopolymers //
for ( k=0 ; k<nC ; k++ ) {
for ( j=0 ; j<Dim ; j++ )
x[ind][j] = ran2() * L[j] ;
x[ind][2] = -ran2()*(L[2]-2*wall_thick)*(phiHC+phisol) +L[2] - wall_thick;
tp[ ind ] = 3 ;
ind += 1 ;
for ( m=1 ; m<Nhc ; m++ ) {
for ( j=0 ; j<Dim ; j++ ) {
x[ind][j] = x[ ind-1 ][ j ] + gasdev2() ;
if ( x[ind][j] > L[j] )
x[ind][j] -= L[j] ;
else if ( x[ind][j] < 0.0 )
x[ind][j] += L[j] ;
}
x[ind][2] = x[ind-1][2];
tp[ ind ] = 3 ;
ind++ ;
}
}
ind = nD*(Nda+Ndb) + nA*Nha +nB*Nhb + nP * ( 1 + ng_per_partic * ( Ng + 1 ) ) + max_nC*Nhc ;
// Random sol //
for ( k=0 ; k<nsol ; k++ ) {
for ( j=0 ; j<Dim ; j++ )
x[ind][j] = ran2() * L[j] ;
x[ind][2] = -ran2()*(L[2]-2*wall_thick)*(phiHC+phisol) +L[2] - wall_thick;
tp[ ind ] = 4 ;
ind += 1 ;
}
// Assign the labels //
for ( i=0 ; i<nstot ; i++ ) {
if ( tp[i] == 0 )
xc[i] = "H" ;
else if ( tp[i] == 1 )
xc[i] = "He" ;
else if ( tp[i] == 2 )
xc[i] = "O" ;
else if ( tp[i] == 3 )
xc[i] = "S" ;
else if ( tp[i] == 4 )
xc[i] = "N" ;
else if ( tp[i] == 5 )
xc[i] = "Br" ;
else if ( tp[i] == 6 )
xc[i] = "C" ;
else if ( tp[i] == 7 )
xc[i] = "Na" ;
else if ( tp[i] == 8 )
xc[i] = "P" ;
else if ( tp[i] == 9 )
xc[i] = "Ca" ;
else if ( tp[i] == -1 )
xc[i] = "X" ;
}
calc_A();
printf("config generated!\n") ;
fflush( stdout ) ;
}
void cyl_config( void ) {
//the period in cyl phase is adjusted along x and y dim. Z dim is a slave dim!//
int i, m, j, k, ind = 0 ;
int num_prd = int(double(nD/2.0));
double tmp_r,dx_adjsn = pow(L[0]*L[0] +L[1]*L[1],0.5)/4.0/double(Nda+Ndb-1), center_crd[2], tmp_center[2];
center_crd[0] = L[0]/2.0;
center_crd[1] = L[1]/2.0;
double tmp_vct[2];
x[ind][L_dim] = L[L_dim]/2.0 ;
for(i = 0; i<nD ; i++) {
if(ran2()<0.5) {
x[ind][0] = center_crd[0];
x[ind][1] = center_crd[1];
x[ind][2] = ran2()*(L[2]-2*wall_thick)*nsD/nstot + wall_thick;
tmp_vct[1] = ran2()*2*PI;
tmp_vct[0] = cos(tmp_vct[1]);
tmp_vct[1] = sin(tmp_vct[1]);
tp[ ind ] = ( Nda > 0 ? 0 : 1 ) ;
ind +=1;
for(j=1 ; j<(Nda +Ndb); j++ ) {
x[ind][2] = x[ind-1][2];
x[ind][0] = x[ind-1][0] +dx_adjsn*tmp_vct[0];
x[ind][1] = x[ind-1][1] +dx_adjsn*tmp_vct[1];
tp[ ind ] = ( j< Nda ? 0 : 1 ) ;
ind +=1 ;
}
}
else {
x[ind][0] = 0;
x[ind][1] = 0;
x[ind][2] = ran2()*(L[2]-2*wall_thick)*nsD/nstot + wall_thick;
tmp_vct[1] = ran2()*2*PI;
tmp_vct[0] = cos(tmp_vct[1]);
tmp_vct[1] = sin(tmp_vct[1]);
tp[ ind ] = ( Nda > 0 ? 0 : 1 ) ;
ind +=1;
for(j=1 ; j<(Nda +Ndb); j++ ) {
x[ind][2] = x[ind-1][2];
x[ind][0] = x[ind-1][0] +dx_adjsn*tmp_vct[0];
x[ind][1] = x[ind-1][1] +dx_adjsn*tmp_vct[1];
tp[ ind ] = ( j< Nda ? 0 : 1 ) ;
for(m = 0 ; m<Dim-1; m++) {
if(x[ind][m]<0)
x[ind][m] += L[m];
else if(x[ind][m]>L[m])
x[ind][m] -= L[m];
else {}
}
ind +=1 ;
}
}
}//nD
// Random A homopolymers //
for ( k=0 ; k<nA ; k++ ) {
for ( j=0 ; j<Dim ; j++ )
x[ind][j] = ran2() * L[j] ;
tp[ ind ] = 0 ;
ind += 1 ;
for ( m=1 ; m<Nha ; m++ ) {
for ( j=0 ; j<Dim ; j++ ) {
x[ind][j] = x[ ind-1 ][ j ] + gasdev2() ;
if ( x[ind][j] > L[j] )
x[ind][j] -= L[j] ;
else if ( x[ind][j] < 0.0 )
x[ind][j] += L[j] ;
}
tp[ ind ] = 0 ;
ind++ ;
}
}
// Random B homopolymers //
for ( k=0 ; k<nB ; k++ ) {
for ( j=0 ; j<Dim ; j++ )
x[ind][j] = ran2() * L[j] ;
tp[ ind ] = 1 ;
ind += 1 ;
for ( m=1 ; m<Nhb ; m++ ) {
for ( j=0 ; j<Dim ; j++ ) {
x[ind][j] = x[ ind-1 ][ j ] + gasdev2() ;
if ( x[ind][j] > L[j] )
x[ind][j] -= L[j] ;
else if ( x[ind][j] < 0.0 )
x[ind][j] += L[j] ;
}
tp[ ind ] = 1 ;
ind++ ;
}
}
// Random C homopolymers //
for ( k=0 ; k<nC ; k++ ) {
for ( j=0 ; j<(Dim-1) ; j++ )
x[ind][j] = ran2() * L[j] ;
tmp_r = -ran2()*(L[2]-2*wall_thick)*nsC/nstot +L[2] - wall_thick;
x[ind][2] = tmp_r ;
tp[ ind ] = 3 ;
ind += 1 ;
for ( m=1 ; m<Nhc ; m++ ) {
for ( j=0 ; j<Dim-1 ; j++ ) {
x[ind][j] = x[ ind-1 ][ j ] + gasdev2() ;
x[ind][2] = tmp_r ;
if ( x[ind][j] > L[j] )
x[ind][j] -= L[j] ;
else if ( x[ind][j] < 0.0 )
x[ind][j] += L[j] ;
}
tp[ ind ] = 3 ;
ind++ ;
}
}//nC
// Random NPs //
for ( k=0 ; k<nP ; k++ ) {
int center_ind , tmp_flg ,gind,prev_graft ;
double u[Dim] ;
x[ind][2] = ran2() * L[2] ;
if(A_partics>=0) {
tmp_vct[1] = ran2()*2*PI;
tmp_vct[0] = cos(tmp_vct[1]);
tmp_vct[1] = sin(tmp_vct[1]);
tmp_r = ran2()*(dx_adjsn*Nda);
if(k<int(nP/2.0)) {
tmp_flg = 1 ;
}
else {
tmp_flg = 0;
}
x[ind][0] = (tmp_flg >0 ? tmp_r*tmp_vct[0] : L[0]/2.0 + tmp_r*tmp_vct[0] );
x[ind][1] = (tmp_flg >0 ? tmp_r*tmp_vct[1] : L[1]/2.0 + tmp_r*tmp_vct[1] );
for(m=0; m<Dim-1; m++) {
if(x[ind][m]<0)
x[ind][m] += L[m];
else if(x[ind][m] >=L[m] )
x[ind][m] -= L[m];
else {}
}
}
else {
for(m=0; m<Dim; m++) {
x[ind][m] = ran2() * L[m] ;
}
}
for(j=0 ; j<3 ; j++) {
euler_ang[k][j] = 0;
euler_q[k][j+1] = 0;
}
euler_q[k][0] = 1;
// euler_ang[k][0] = PI/2.0;
tp[ ind ] = 2 ;
center_ind = ind ;
ind += 1 ;
for ( m=0 ; m<ng_per_partic ; m++ ) {
// Place the grafting site //
if(uni_sig ==1) { //fibonacci grafting sites
fibonacci_u ( u , m );
gind = k*ng_per_partic + m;
if(k==0 and m==0)cout<<"fibonacci grafting is used"<<endl;
}
else if(uni_sig ==2) { //uniform grafting
unif_sig ( u , m );
gind = k*ng_per_partic + m;
if(k==0 and m==0)cout<<"uniform grafting is used"<<endl;
}
else { //random grafting sites
random_u( u ) ;
gind = k*ng_per_partic + m;
if(k==0 and m==0)cout<<"random grafting is used"<<endl;
}
for ( j=0 ; j<Dim ; j++ ) {
x[ind][j] = x[center_ind][j] + Rp * u[j] ;
grf_bf_x[gind][j] = Rp * u[j];
if ( x[ind][j] > L[j] )
x[ind][j] -= L[j] ;
else if ( x[ind][j] < 0.0 )
x[ind][j] += L[j] ;
}
// cout<<" ng "<<m<<" "<<x[ind][0]<<" "<<x[ind][1]<<" "<<x[ind][2]<<endl;
tp[ ind ] = -1 ;
if ( m > 0 ) {
double mdr2, dr[Dim], mdr ;
mdr2 = pbc_mdr2( x[ prev_graft ] , x[ ind ] , dr ) ;
mdr = sqrt( mdr2 ) ;
graft_req[k][m-1] = mdr ;
}
prev_graft = ind ;
ind++ ;
// Place the chain grafted to this site
for ( i=0 ; i<Ng ; i++ ) {
for ( j=0 ; j<Dim ; j++ ) {
x[ind][j] = x[ind-1][j] + 0.5 * u[j] ;
if ( x[ind][j] > L[j] )
x[ind][j] -= L[j] ;
else if ( x[ind][j] < 0.0 )
x[ind][j] += L[j] ;
}
tp[ ind ] = 0 ;
ind++ ;
}
}//np_grdt
} //nP
// Assign the labels //
for ( i=0 ; i<nstot ; i++ ) {
if ( tp[i] == 0 )
xc[i] = "H" ;
else if ( tp[i] == 1 )
xc[i] = "He" ;
else if ( tp[i] == 2 )
xc[i] = "O" ;
else if ( tp[i] == 3 )
xc[i] = "S" ;
else if ( tp[i] == 4 )
xc[i] = "N" ;
else if ( tp[i] == 5 )
xc[i] = "Br" ;
else if ( tp[i] == 6 )
xc[i] = "C" ;
else if ( tp[i] == 7 )
xc[i] = "Na" ;
else if ( tp[i] == 8 )
xc[i] = "P" ;
else if ( tp[i] == 9 )
xc[i] = "Ca" ;
else if ( tp[i] == -1 )
xc[i] = "X" ;
}
printf("config generated!\n") ;
fflush( stdout ) ;
}
void lamm_config( void ) {
int i, m, j, k, ind = 0 ;
int num_prd = int(double(nD/2.0));
double dx_adjsn = -L[L_dim]/2.0/double(Nda+Ndb-1);
for(i=0; i<2; i++) {
for(k = 0 ; k< (i !=1 ? num_prd :(nD-num_prd)); k++) {
for ( j=0 ; j<(Dim) ; j++ )
if(j!= L_dim)x[ind][j] = ran2() * L[j] ;
x[ind][L_dim] = L[L_dim]/2.0 ;
tp[ ind ] = ( Nda > 0 ? 0 : 1 ) ;
ind += 1 ;
for ( m=1 ; m<Nda + Ndb ; m++ ) {
for ( j=0 ; j<Dim ; j++ ) {
if(j!= L_dim)
x[ind][j] = x[ ind-1 ][ j ];
}
x[ind][L_dim] = x[ ind-1 ][ L_dim ] +dx_adjsn;
tp[ ind ] = ( m < Nda ? 0 : 1 ) ;
ind++ ;
}
}//num_prd
dx_adjsn *=-1;
}//i<4
// Random A homopolymers //
for ( k=0 ; k<nP ; k++ ) {
int center_ind , gind,prev_graft ;
double u[Dim] ;
for ( j=0 ; j<Dim ; j++ )
if(j != L_dim)x[ind][j] = ran2() * L[j] ;
if(A_partics>=0) {
x[ind][L_dim] = L[L_dim]/2 + (ran2() -0.5) * (L[L_dim]/2.0-Rp);
}
else {
x[ind][L_dim] = L[L_dim]/4 + L[L_dim]/2*(ran2()> 0.5 ? 1:0) + (ran2() -0.5) *Rp;
}
for(j=0 ; j<3 ; j++) {
euler_ang[k][j] = 0;
euler_q[k][j+1] = 0;
}
euler_q[k][0] = 1;
// euler_ang[k][0] = PI/2.0;
tp[ ind ] = 2 ;
center_ind = ind ;
ind += 1 ;
for ( m=0 ; m<ng_per_partic ; m++ ) {
// Place the grafting site //
if(uni_sig ==1) { //fibonacci grafting sites
fibonacci_u ( u , m );
gind = k*ng_per_partic + m;
if(k==0 and m==0)cout<<"fibonacci grafting is used"<<endl;
}
else if(uni_sig ==2) { //uniform grafting
unif_sig ( u , m );
gind = k*ng_per_partic + m;
if(k==0 and m==0)cout<<"uniform grafting is used"<<endl;
}
else { //random grafting sites
random_u( u ) ;
gind = k*ng_per_partic + m;
if(k==0 and m==0)cout<<"random grafting is used"<<endl;
}
for ( j=0 ; j<Dim ; j++ ) {
x[ind][j] = x[center_ind][j] + Rp * u[j] ;
grf_bf_x[gind][j] = Rp * u[j];
if ( x[ind][j] > L[j] )
x[ind][j] -= L[j] ;
else if ( x[ind][j] < 0.0 )
x[ind][j] += L[j] ;
}
// cout<<" ng "<<m<<" "<<x[ind][0]<<" "<<x[ind][1]<<" "<<x[ind][2]<<endl;
tp[ ind ] = -1 ;
if ( m > 0 ) {
double mdr2, dr[Dim], mdr ;
mdr2 = pbc_mdr2( x[ prev_graft ] , x[ ind ] , dr ) ;
mdr = sqrt( mdr2 ) ;
graft_req[k][m-1] = mdr ;
}
prev_graft = ind ;
ind++ ;
// Place the chain grafted to this site
for ( i=0 ; i<Ng ; i++ ) {
for ( j=0 ; j<Dim ; j++ ) {
x[ind][j] = x[ind-1][j] + 0.5 * u[j] ;
if ( x[ind][j] > L[j] )
x[ind][j] -= L[j] ;
else if ( x[ind][j] < 0.0 )
x[ind][j] += L[j] ;
}
tp[ ind ] = 0 ;
ind++ ;
}
}//np_grdt
} //nP
// Assign the labels //
for ( i=0 ; i<nstot ; i++ ) {
if ( tp[i] == 0 )
xc[i] = "H" ;
else if ( tp[i] == 1 )
xc[i] = "He" ;
else if ( tp[i] == 2 )
xc[i] = "O" ;
else if ( tp[i] == 3 )
xc[i] = "S" ;
else if ( tp[i] == 4 )
xc[i] = "N" ;
else if ( tp[i] == 5 )
xc[i] = "Br" ;
else if ( tp[i] == 6 )
xc[i] = "C" ;
else if ( tp[i] == 7 )
xc[i] = "Na" ;
else if ( tp[i] == 8 )
xc[i] = "P" ;
else if ( tp[i] == 9 )
xc[i] = "Ca" ;
}
printf("config generated!\n") ;
fflush( stdout ) ;
}
int main (int, char **)
{
int w = 768, h = 768, iterations = 0;
std::vector<glm::vec3> colors(w * h, glm::vec3{0.f, 0.f, 0.f});
Ray cam {{50, 52, 295.6}, glm::normalize(glm::vec3{0, -0.042612, -1})}; // cam pos, dir
float near = 1.f;
float far = 10000.f;
glm::mat4 camera =
glm::scale(glm::mat4(1.f), glm::vec3(float(w), float(h), 1.f))
* glm::translate(glm::mat4(1.f), glm::vec3(0.5, 0.5, 0.f))
* glm::perspective(float(54.5f * pi / 180.f), float(w) / float(h), near, far)
* glm::lookAt(cam.origin, cam.origin + cam.direction, glm::vec3(0, 1, 0))
;
glm::mat4 screenToRay = glm::inverse(camera);
QTime t;
t.start();
#pragma omp parallel for
for (int y = 0; y < h; y++)
{
std::cerr << "\rRendering: " << 100 * iterations / ((w-1)*(h-1)) << "%";
for (unsigned short x = 0; x < w; x++)
{
glm::vec3 r;
float smoothies = 5.f;
for(int smooths = 0; smooths < smoothies; ++smooths)
{
float u = random_u();
//float v = random_u();
float R = sqrt(-2*log(u));
//float R2 = sqrt(-2*log(v));
float xDecal = R * cos(2*pi*u)*.5;
float yDecal = R * sin(2*pi*u)*.5;
glm::vec4 p0 = screenToRay * glm::vec4{float(x)+xDecal-.5, float(h - y )+ yDecal-.5, 0.f, 1.f};
glm::vec4 p1 = screenToRay * glm::vec4{float(x)+xDecal-.5, float(h - y )+ yDecal-.5, 1.f, 1.f};
glm::vec3 pp0 = glm::vec3(p0 / p0.w);
glm::vec3 pp1 = glm::vec3(p1 / p1.w);
glm::vec3 d = glm::normalize(pp1 - pp0);
r += radiance (Ray{pp0, d});
}
r/=smoothies;
colors[y * w + x] = colors[y * w + x]*0.25f + glm::clamp(r, glm::vec3(0.f, 0.f, 0.f), glm::vec3(1.f, 1.f, 1.f));// * 0.25f;
++iterations;
}
}
{
std::fstream f("C:\\Users\\etu\\Desktop\\image6.ppm", std::fstream::out);
f << "P3\n" << w << " " << h << std::endl << "255" << std::endl;
for (auto c : colors)
f << toInt(c.x) << " " << toInt(c.y) << " " << toInt(c.z) << " ";
}
std::cout << std::endl << "Rendered in " << t.elapsed()/1000. << "s." << std::endl;
}
// dirLux normalisé
glm::vec3 random_light(const glm::vec3 dirLux, float &pdf) {
float u = random_u();
float v = random_u();
return sample_sphere(10.f, u, v, pdf, -dirLux);
}
