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v_compute.cc
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// Voro++, a 3D cell-based Voronoi library
//
// Author : Chris H. Rycroft (LBL / UC Berkeley)
// Email : chr@alum.mit.edu
// Date : August 30th 2011
/** \file v_compute.cc
* \brief Function implementantions for the voro_compute template. */
#include "worklist.hh"
#include "v_compute.hh"
#include "rad_option.hh"
#include "container.hh"
#include "container_prd.hh"
namespace voro {
/** The class constructor initializes constants from the container class, and
* sets up the mask and queue used for Voronoi computations.
* \param[in] con_ a reference to the container class to use.
* \param[in] (hx_,hy_,hz_) the size of the mask to use. */
template<class c_class>
voro_compute<c_class>::voro_compute(c_class &con_,int hx_,int hy_,int hz_) :
con(con_), boxx(con_.boxx), boxy(con_.boxy), boxz(con_.boxz),
xsp(con_.xsp), ysp(con_.ysp), zsp(con_.zsp),
hx(hx_), hy(hy_), hz(hz_), hxy(hx_*hy_), hxyz(hxy*hz_), ps(con_.ps),
id(con_.id), p(con_.p), co(con_.co), bxsq(boxx*boxx+boxy*boxy+boxz*boxz),
mv(0), qu_size(3*(3+hxy+hz*(hx+hy))), wl(con_.wl), mrad(con_.mrad),
mask(new unsigned int[hxyz]), qu(new int[qu_size]), qu_l(qu+qu_size) {
reset_mask();
}
/** Scans all of the particles within a block to see if any of them have a
* smaller distance to the given test vector. If one is found, the routine
* updates the minimum distance and store information about this particle.
* \param[in] ijk the index of the block.
* \param[in] (x,y,z) the test vector to consider (which may have already had a
* periodic displacement applied to it).
* \param[in] (di,dj,dk) the coordinates of the current block, to store if the
* particle record is updated.
* \param[in,out] w a reference to a particle record in which to store
* information about the particle whose Voronoi cell the
* vector is within.
* \param[in,out] mrs the current minimum distance, that may be updated if a
* closer particle is found. */
template<class c_class>
inline void voro_compute<c_class>::scan_all(int ijk,double x,double y,double z,int di,int dj,int dk,particle_record &w,double &mrs) {
double x1,y1,z1,rs;bool in_block=false;
for(int l=0;l<co[ijk];l++) {
x1=p[ijk][ps*l]-x;
y1=p[ijk][ps*l+1]-y;
z1=p[ijk][ps*l+2]-z;
rs=con.r_current_sub(x1*x1+y1*y1+z1*z1,ijk,l);
if(rs<mrs) {mrs=rs;w.l=l;in_block=true;}
}
if(in_block) {w.ijk=ijk;w.di=di;w.dj=dj,w.dk=dk;}
}
/** Finds the Voronoi cell that given vector is within. For containers that are
* not radially dependent, this corresponds to findig the particle that is
* closest to the vector; for the radical tessellation containers, this
* corresponds to a finding the minimum weighted distance.
* \param[in] (x,y,z) the vector to consider.
* \param[in] (ci,cj,ck) the coordinates of the block that the test particle is
* in relative to the container data structure.
* \param[in] ijk the index of the block that the test particle is in.
* \param[out] w a reference to a particle record in which to store information
* about the particle whose Voronoi cell the vector is within.
* \param[out] mrs the minimum computed distance. */
template<class c_class>
void voro_compute<c_class>::find_voronoi_cell(double x,double y,double z,int ci,int cj,int ck,int ijk,particle_record &w,double &mrs) {
double qx=0,qy=0,qz=0,rs;
int i,j,k,di,dj,dk,ei,ej,ek,f,g,disp;
double fx,fy,fz,mxs,mys,mzs,*radp;
unsigned int q,*e,*mijk;
// Init setup for parameters to return
w.ijk=-1;mrs=large_number;
con.initialize_search(ci,cj,ck,ijk,i,j,k,disp);
// Test all particles in the particle's local region first
scan_all(ijk,x,y,z,0,0,0,w,mrs);
// Now compute the fractional position of the particle within its
// region and store it in (fx,fy,fz). We use this to compute an index
// (di,dj,dk) of which subregion the particle is within.
unsigned int m1,m2;
con.frac_pos(x,y,z,ci,cj,ck,fx,fy,fz);
di=int(fx*xsp*wl_fgrid);dj=int(fy*ysp*wl_fgrid);dk=int(fz*zsp*wl_fgrid);
// The indices (di,dj,dk) tell us which worklist to use, to test the
// blocks in the optimal order. But we only store worklists for the
// eighth of the region where di, dj, and dk are all less than half the
// full grid. The rest of the cases are handled by symmetry. In this
// section, we detect for these cases, by reflecting high values of di,
// dj, and dk. For these cases, a mask is constructed in m1 and m2
// which is used to flip the worklist information when it is loaded.
if(di>=wl_hgrid) {
mxs=boxx-fx;
m1=127+(3<<21);m2=1+(1<<21);di=wl_fgrid-1-di;if(di<0) di=0;
} else {m1=m2=0;mxs=fx;}
if(dj>=wl_hgrid) {
mys=boxy-fy;
m1|=(127<<7)+(3<<24);m2|=(1<<7)+(1<<24);dj=wl_fgrid-1-dj;if(dj<0) dj=0;
} else mys=fy;
if(dk>=wl_hgrid) {
mzs=boxz-fz;
m1|=(127<<14)+(3<<27);m2|=(1<<14)+(1<<27);dk=wl_fgrid-1-dk;if(dk<0) dk=0;
} else mzs=fz;
// Do a quick test to account for the case when the minimum radius is
// small enought that no other blocks need to be considered
rs=con.r_max_add(mrs);
if(mxs*mxs>rs&&mys*mys>rs&&mzs*mzs>rs) return;
// Now compute which worklist we are going to use, and set radp and e to
// point at the right offsets
ijk=di+wl_hgrid*(dj+wl_hgrid*dk);
radp=mrad+ijk*wl_seq_length;
e=(const_cast<unsigned int*> (wl))+ijk*wl_seq_length;
// Read in how many items in the worklist can be tested without having to
// worry about writing to the mask
f=e[0];g=0;
do {
// If mrs is less than the minimum distance to any untested
// block, then we are done
if(con.r_max_add(mrs)<radp[g]) return;
g++;
// Load in a block off the worklist, permute it with the
// symmetry mask, and decode its position. These are all
// integer bit operations so they should run very fast.
q=e[g];q^=m1;q+=m2;
di=q&127;di-=64;
dj=(q>>7)&127;dj-=64;
dk=(q>>14)&127;dk-=64;
// Check that the worklist position is in range
ei=di+i;if(ei<0||ei>=hx) continue;
ej=dj+j;if(ej<0||ej>=hy) continue;
ek=dk+k;if(ek<0||ek>=hz) continue;
// Call the compute_min_max_radius() function. This returns
// true if the minimum distance to the block is bigger than the
// current mrs, in which case we skip this block and move on.
// Otherwise, it computes the maximum distance to the block and
// returns it in crs.
if(compute_min_radius(di,dj,dk,fx,fy,fz,mrs)) continue;
// Now compute which region we are going to loop over, adding a
// displacement for the periodic cases
ijk=con.region_index(ci,cj,ck,ei,ej,ek,qx,qy,qz,disp);
// If mrs is bigger than the maximum distance to the block,
// then we have to test all particles in the block for
// intersections. Otherwise, we do additional checks and skip
// those particles which can't possibly intersect the block.
scan_all(ijk,x-qx,y-qy,z-qz,di,dj,dk,w,mrs);
} while(g<f);
// Update mask value and initialize queue
mv++;
if(mv==0) {reset_mask();mv=1;}
int *qu_s=qu,*qu_e=qu;
while(g<wl_seq_length-1) {
// If mrs is less than the minimum distance to any untested
// block, then we are done
if(con.r_max_add(mrs)<radp[g]) return;
g++;
// Load in a block off the worklist, permute it with the
// symmetry mask, and decode its position. These are all
// integer bit operations so they should run very fast.
q=e[g];q^=m1;q+=m2;
di=q&127;di-=64;
dj=(q>>7)&127;dj-=64;
dk=(q>>14)&127;dk-=64;
// Compute the position in the mask of the current block. If
// this lies outside the mask, then skip it. Otherwise, mark
// it.
ei=di+i;if(ei<0||ei>=hx) continue;
ej=dj+j;if(ej<0||ej>=hy) continue;
ek=dk+k;if(ek<0||ek>=hz) continue;
mijk=mask+ei+hx*(ej+hy*ek);
*mijk=mv;
// Skip this block if it is further away than the current
// minimum radius
if(compute_min_radius(di,dj,dk,fx,fy,fz,mrs)) continue;
// Now compute which region we are going to loop over, adding a
// displacement for the periodic cases
ijk=con.region_index(ci,cj,ck,ei,ej,ek,qx,qy,qz,disp);
scan_all(ijk,x-qx,y-qy,z-qz,di,dj,dk,w,mrs);
if(qu_e>qu_l-18) add_list_memory(qu_s,qu_e);
scan_bits_mask_add(q,mijk,ei,ej,ek,qu_e);
}
// Do a check to see if we've reached the radius cutoff
if(con.r_max_add(mrs)<radp[g]) return;
// We were unable to completely compute the cell based on the blocks in
// the worklist, so now we have to go block by block, reading in items
// off the list
while(qu_s!=qu_e) {
// Read the next entry of the queue
if(qu_s==qu_l) qu_s=qu;
ei=*(qu_s++);ej=*(qu_s++);ek=*(qu_s++);
di=ei-i;dj=ej-j;dk=ek-k;
if(compute_min_radius(di,dj,dk,fx,fy,fz,mrs)) continue;
ijk=con.region_index(ci,cj,ck,ei,ej,ek,qx,qy,qz,disp);
scan_all(ijk,x-qx,y-qy,z-qz,di,dj,dk,w,mrs);
// Test the neighbors of the current block, and add them to the
// block list if they haven't already been tested
if((qu_s<=qu_e?(qu_l-qu_e)+(qu_s-qu):qu_s-qu_e)<18) add_list_memory(qu_s,qu_e);
add_to_mask(ei,ej,ek,qu_e);
}
}
/** Scans the six orthogonal neighbors of a given block and adds them to the
* queue if they haven't been considered already. It assumes that the queue
* will definitely have enough memory to add six entries at the end.
* \param[in] (ei,ej,ek) the block to consider.
* \param[in,out] qu_e a pointer to the end of the queue. */
template<class c_class>
inline void voro_compute<c_class>::add_to_mask(int ei,int ej,int ek,int *&qu_e) {
unsigned int *mijk=mask+ei+hx*(ej+hy*ek);
if(ek>0) if(*(mijk-hxy)!=mv) {if(qu_e==qu_l) qu_e=qu;*(mijk-hxy)=mv;*(qu_e++)=ei;*(qu_e++)=ej;*(qu_e++)=ek-1;}
if(ej>0) if(*(mijk-hx)!=mv) {if(qu_e==qu_l) qu_e=qu;*(mijk-hx)=mv;*(qu_e++)=ei;*(qu_e++)=ej-1;*(qu_e++)=ek;}
if(ei>0) if(*(mijk-1)!=mv) {if(qu_e==qu_l) qu_e=qu;*(mijk-1)=mv;*(qu_e++)=ei-1;*(qu_e++)=ej;*(qu_e++)=ek;}
if(ei<hx-1) if(*(mijk+1)!=mv) {if(qu_e==qu_l) qu_e=qu;*(mijk+1)=mv;*(qu_e++)=ei+1;*(qu_e++)=ej;*(qu_e++)=ek;}
if(ej<hy-1) if(*(mijk+hx)!=mv) {if(qu_e==qu_l) qu_e=qu;*(mijk+hx)=mv;*(qu_e++)=ei;*(qu_e++)=ej+1;*(qu_e++)=ek;}
if(ek<hz-1) if(*(mijk+hxy)!=mv) {if(qu_e==qu_l) qu_e=qu;*(mijk+hxy)=mv;*(qu_e++)=ei;*(qu_e++)=ej;*(qu_e++)=ek+1;}
}
/** Scans a worklist entry and adds any blocks to the queue
* \param[in] (ei,ej,ek) the block to consider.
* \param[in,out] qu_e a pointer to the end of the queue. */
template<class c_class>
inline void voro_compute<c_class>::scan_bits_mask_add(unsigned int q,unsigned int *mijk,int ei,int ej,int ek,int *&qu_e) {
const unsigned int b1=1<<21,b2=1<<22,b3=1<<24,b4=1<<25,b5=1<<27,b6=1<<28;
if((q&b2)==b2) {
if(ei>0) {*(mijk-1)=mv;*(qu_e++)=ei-1;*(qu_e++)=ej;*(qu_e++)=ek;}
if((q&b1)==0&&ei<hx-1) {*(mijk+1)=mv;*(qu_e++)=ei+1;*(qu_e++)=ej;*(qu_e++)=ek;}
} else if((q&b1)==b1&&ei<hx-1) {*(mijk+1)=mv;*(qu_e++)=ei+1;*(qu_e++)=ej;*(qu_e++)=ek;}
if((q&b4)==b4) {
if(ej>0) {*(mijk-hx)=mv;*(qu_e++)=ei;*(qu_e++)=ej-1;*(qu_e++)=ek;}
if((q&b3)==0&&ej<hy-1) {*(mijk+hx)=mv;*(qu_e++)=ei;*(qu_e++)=ej+1;*(qu_e++)=ek;}
} else if((q&b3)==b3&&ej<hy-1) {*(mijk+hx)=mv;*(qu_e++)=ei;*(qu_e++)=ej+1;*(qu_e++)=ek;}
if((q&b6)==b6) {
if(ek>0) {*(mijk-hxy)=mv;*(qu_e++)=ei;*(qu_e++)=ej;*(qu_e++)=ek-1;}
if((q&b5)==0&&ek<hz-1) {*(mijk+hxy)=mv;*(qu_e++)=ei;*(qu_e++)=ej;*(qu_e++)=ek+1;}
} else if((q&b5)==b5&&ek<hz-1) {*(mijk+hxy)=mv;*(qu_e++)=ei;*(qu_e++)=ej;*(qu_e++)=ek+1;}
}
/** This routine computes a Voronoi cell for a single particle in the
* container. It can be called by the user, but is also forms the core part of
* several of the main functions, such as store_cell_volumes(), print_all(),
* and the drawing routines. The algorithm constructs the cell by testing over
* the neighbors of the particle, working outwards until it reaches those
* particles which could not possibly intersect the cell. For maximum
* efficiency, this algorithm is divided into three parts. In the first
* section, the algorithm tests over the blocks which are in the immediate
* vicinity of the particle, by making use of one of the precomputed worklists.
* The code then continues to test blocks on the worklist, but also begins to
* construct a list of neighboring blocks outside the worklist which may need
* to be test. In the third section, the routine starts testing these
* neighboring blocks, evaluating whether or not a particle in them could
* possibly intersect the cell. For blocks that intersect the cell, it tests
* the particles in that block, and then adds the block neighbors to the list
* of potential places to consider.
* \param[in,out] c a reference to a voronoicell object.
* \param[in] ijk the index of the block that the test particle is in.
* \param[in] s the index of the particle within the test block.
* \param[in] (ci,cj,ck) the coordinates of the block that the test particle is
* in relative to the container data structure.
* \return False if the Voronoi cell was completely removed during the
* computation and has zero volume, true otherwise. */
template<class c_class>
template<class v_cell>
bool voro_compute<c_class>::compute_cell(v_cell &c,int ijk,int s,int ci,int cj,int ck) {
static const int count_list[8]={7,11,15,19,26,35,45,59},*count_e=count_list+8;
double x,y,z,x1,y1,z1,qx=0,qy=0,qz=0;
double xlo,ylo,zlo,xhi,yhi,zhi,x2,y2,z2,rs;
int i,j,k,di,dj,dk,ei,ej,ek,f,g,l,disp;
double fx,fy,fz,gxs,gys,gzs,*radp;
unsigned int q,*e,*mijk;
if(!con.initialize_voronoicell(c,ijk,s,ci,cj,ck,i,j,k,x,y,z,disp)) return false;
con.r_init(ijk,s);
// Initialize the Voronoi cell to fill the entire container
double crs,mrs;
int next_count=3,*count_p=(const_cast<int*> (count_list));
// Test all particles in the particle's local region first
for(l=0;l<s;l++) {
x1=p[ijk][ps*l]-x;
y1=p[ijk][ps*l+1]-y;
z1=p[ijk][ps*l+2]-z;
rs=con.r_scale(x1*x1+y1*y1+z1*z1,ijk,l);
if(!c.nplane(x1,y1,z1,rs,id[ijk][l])) return false;
}
l++;
while(l<co[ijk]) {
x1=p[ijk][ps*l]-x;
y1=p[ijk][ps*l+1]-y;
z1=p[ijk][ps*l+2]-z;
rs=con.r_scale(x1*x1+y1*y1+z1*z1,ijk,l);
if(!c.nplane(x1,y1,z1,rs,id[ijk][l])) return false;
l++;
}
// Now compute the maximum distance squared from the cell center to a
// vertex. This is used to cut off the calculation since we only need
// to test out to twice this range.
mrs=c.max_radius_squared();
// Now compute the fractional position of the particle within its
// region and store it in (fx,fy,fz). We use this to compute an index
// (di,dj,dk) of which subregion the particle is within.
unsigned int m1,m2;
con.frac_pos(x,y,z,ci,cj,ck,fx,fy,fz);
di=int(fx*xsp*wl_fgrid);dj=int(fy*ysp*wl_fgrid);dk=int(fz*zsp*wl_fgrid);
// The indices (di,dj,dk) tell us which worklist to use, to test the
// blocks in the optimal order. But we only store worklists for the
// eighth of the region where di, dj, and dk are all less than half the
// full grid. The rest of the cases are handled by symmetry. In this
// section, we detect for these cases, by reflecting high values of di,
// dj, and dk. For these cases, a mask is constructed in m1 and m2
// which is used to flip the worklist information when it is loaded.
if(di>=wl_hgrid) {
gxs=fx;
m1=127+(3<<21);m2=1+(1<<21);di=wl_fgrid-1-di;if(di<0) di=0;
} else {m1=m2=0;gxs=boxx-fx;}
if(dj>=wl_hgrid) {
gys=fy;
m1|=(127<<7)+(3<<24);m2|=(1<<7)+(1<<24);dj=wl_fgrid-1-dj;if(dj<0) dj=0;
} else gys=boxy-fy;
if(dk>=wl_hgrid) {
gzs=fz;
m1|=(127<<14)+(3<<27);m2|=(1<<14)+(1<<27);dk=wl_fgrid-1-dk;if(dk<0) dk=0;
} else gzs=boxz-fz;
gxs*=gxs;gys*=gys;gzs*=gzs;
// Now compute which worklist we are going to use, and set radp and e to
// point at the right offsets
ijk=di+wl_hgrid*(dj+wl_hgrid*dk);
radp=mrad+ijk*wl_seq_length;
e=(const_cast<unsigned int*> (wl))+ijk*wl_seq_length;
// Read in how many items in the worklist can be tested without having to
// worry about writing to the mask
f=e[0];g=0;
do {
// At the intervals specified by count_list, we recompute the
// maximum radius squared
if(g==next_count) {
mrs=c.max_radius_squared();
if(count_p!=count_e) next_count=*(count_p++);
}
// If mrs is less than the minimum distance to any untested
// block, then we are done
if(con.r_ctest(radp[g],mrs)) return true;
g++;
// Load in a block off the worklist, permute it with the
// symmetry mask, and decode its position. These are all
// integer bit operations so they should run very fast.
q=e[g];q^=m1;q+=m2;
di=q&127;di-=64;
dj=(q>>7)&127;dj-=64;
dk=(q>>14)&127;dk-=64;
// Check that the worklist position is in range
ei=di+i;if(ei<0||ei>=hx) continue;
ej=dj+j;if(ej<0||ej>=hy) continue;
ek=dk+k;if(ek<0||ek>=hz) continue;
// Call the compute_min_max_radius() function. This returns
// true if the minimum distance to the block is bigger than the
// current mrs, in which case we skip this block and move on.
// Otherwise, it computes the maximum distance to the block and
// returns it in crs.
if(compute_min_max_radius(di,dj,dk,fx,fy,fz,gxs,gys,gzs,crs,mrs)) continue;
// Now compute which region we are going to loop over, adding a
// displacement for the periodic cases
ijk=con.region_index(ci,cj,ck,ei,ej,ek,qx,qy,qz,disp);
// If mrs is bigger than the maximum distance to the block,
// then we have to test all particles in the block for
// intersections. Otherwise, we do additional checks and skip
// those particles which can't possibly intersect the block.
if(co[ijk]>0) {
l=0;x2=x-qx;y2=y-qy;z2=z-qz;
if(!con.r_ctest(crs,mrs)) {
do {
x1=p[ijk][ps*l]-x2;
y1=p[ijk][ps*l+1]-y2;
z1=p[ijk][ps*l+2]-z2;
rs=con.r_scale(x1*x1+y1*y1+z1*z1,ijk,l);
if(!c.nplane(x1,y1,z1,rs,id[ijk][l])) return false;
l++;
} while (l<co[ijk]);
} else {
do {
x1=p[ijk][ps*l]-x2;
y1=p[ijk][ps*l+1]-y2;
z1=p[ijk][ps*l+2]-z2;
rs=x1*x1+y1*y1+z1*z1;
if(con.r_scale_check(rs,mrs,ijk,l)&&!c.nplane(x1,y1,z1,rs,id[ijk][l])) return false;
l++;
} while (l<co[ijk]);
}
}
} while(g<f);
// If we reach here, we were unable to compute the entire cell using
// the first part of the worklist. This section of the algorithm
// continues the worklist, but it now starts preparing the mask that we
// need if we end up going block by block. We do the same as before,
// but we put a mark down on the mask for every block that's tested.
// The worklist also contains information about which neighbors of each
// block are not also on the worklist, and we start storing those
// points in a list in case we have to go block by block. Update the
// mask counter, and if it wraps around then reset the whole mask; that
// will only happen once every 2^32 tries.
mv++;
if(mv==0) {reset_mask();mv=1;}
// Set the queue pointers
int *qu_s=qu,*qu_e=qu;
while(g<wl_seq_length-1) {
// At the intervals specified by count_list, we recompute the
// maximum radius squared
if(g==next_count) {
mrs=c.max_radius_squared();
if(count_p!=count_e) next_count=*(count_p++);
}
// If mrs is less than the minimum distance to any untested
// block, then we are done
if(con.r_ctest(radp[g],mrs)) return true;
g++;
// Load in a block off the worklist, permute it with the
// symmetry mask, and decode its position. These are all
// integer bit operations so they should run very fast.
q=e[g];q^=m1;q+=m2;
di=q&127;di-=64;
dj=(q>>7)&127;dj-=64;
dk=(q>>14)&127;dk-=64;
// Compute the position in the mask of the current block. If
// this lies outside the mask, then skip it. Otherwise, mark
// it.
ei=di+i;if(ei<0||ei>=hx) continue;
ej=dj+j;if(ej<0||ej>=hy) continue;
ek=dk+k;if(ek<0||ek>=hz) continue;
mijk=mask+ei+hx*(ej+hy*ek);
*mijk=mv;
// Call the compute_min_max_radius() function. This returns
// true if the minimum distance to the block is bigger than the
// current mrs, in which case we skip this block and move on.
// Otherwise, it computes the maximum distance to the block and
// returns it in crs.
if(compute_min_max_radius(di,dj,dk,fx,fy,fz,gxs,gys,gzs,crs,mrs)) continue;
// Now compute which region we are going to loop over, adding a
// displacement for the periodic cases
ijk=con.region_index(ci,cj,ck,ei,ej,ek,qx,qy,qz,disp);
// If mrs is bigger than the maximum distance to the block,
// then we have to test all particles in the block for
// intersections. Otherwise, we do additional checks and skip
// those particles which can't possibly intersect the block.
if(co[ijk]>0) {
l=0;x2=x-qx;y2=y-qy;z2=z-qz;
if(!con.r_ctest(crs,mrs)) {
do {
x1=p[ijk][ps*l]-x2;
y1=p[ijk][ps*l+1]-y2;
z1=p[ijk][ps*l+2]-z2;
rs=con.r_scale(x1*x1+y1*y1+z1*z1,ijk,l);
if(!c.nplane(x1,y1,z1,rs,id[ijk][l])) return false;
l++;
} while (l<co[ijk]);
} else {
do {
x1=p[ijk][ps*l]-x2;
y1=p[ijk][ps*l+1]-y2;
z1=p[ijk][ps*l+2]-z2;
rs=x1*x1+y1*y1+z1*z1;
if(con.r_scale_check(rs,mrs,ijk,l)&&!c.nplane(x1,y1,z1,rs,id[ijk][l])) return false;
l++;
} while (l<co[ijk]);
}
}
// If there might not be enough memory on the list for these
// additions, then add more
if(qu_e>qu_l-18) add_list_memory(qu_s,qu_e);
// Test the parts of the worklist element which tell us what
// neighbors of this block are not on the worklist. Store them
// on the block list, and mark the mask.
scan_bits_mask_add(q,mijk,ei,ej,ek,qu_e);
}
// Do a check to see if we've reached the radius cutoff
if(con.r_ctest(radp[g],mrs)) return true;
// We were unable to completely compute the cell based on the blocks in
// the worklist, so now we have to go block by block, reading in items
// off the list
while(qu_s!=qu_e) {
// If we reached the end of the list memory loop back to the
// start
if(qu_s==qu_l) qu_s=qu;
// Read in a block off the list, and compute the upper and lower
// coordinates in each of the three dimensions
ei=*(qu_s++);ej=*(qu_s++);ek=*(qu_s++);
xlo=(ei-i)*boxx-fx;xhi=xlo+boxx;
ylo=(ej-j)*boxy-fy;yhi=ylo+boxy;
zlo=(ek-k)*boxz-fz;zhi=zlo+boxz;
// Carry out plane tests to see if any particle in this block
// could possibly intersect the cell
if(ei>i) {
if(ej>j) {
if(ek>k) {if(corner_test(c,xlo,ylo,zlo,xhi,yhi,zhi)) continue;}
else if(ek<k) {if(corner_test(c,xlo,ylo,zhi,xhi,yhi,zlo)) continue;}
else {if(edge_z_test(c,xlo,ylo,zlo,xhi,yhi,zhi)) continue;}
} else if(ej<j) {
if(ek>k) {if(corner_test(c,xlo,yhi,zlo,xhi,ylo,zhi)) continue;}
else if(ek<k) {if(corner_test(c,xlo,yhi,zhi,xhi,ylo,zlo)) continue;}
else {if(edge_z_test(c,xlo,yhi,zlo,xhi,ylo,zhi)) continue;}
} else {
if(ek>k) {if(edge_y_test(c,xlo,ylo,zlo,xhi,yhi,zhi)) continue;}
else if(ek<k) {if(edge_y_test(c,xlo,ylo,zhi,xhi,yhi,zlo)) continue;}
else {if(face_x_test(c,xlo,ylo,zlo,yhi,zhi)) continue;}
}
} else if(ei<i) {
if(ej>j) {
if(ek>k) {if(corner_test(c,xhi,ylo,zlo,xlo,yhi,zhi)) continue;}
else if(ek<k) {if(corner_test(c,xhi,ylo,zhi,xlo,yhi,zlo)) continue;}
else {if(edge_z_test(c,xhi,ylo,zlo,xlo,yhi,zhi)) continue;}
} else if(ej<j) {
if(ek>k) {if(corner_test(c,xhi,yhi,zlo,xlo,ylo,zhi)) continue;}
else if(ek<k) {if(corner_test(c,xhi,yhi,zhi,xlo,ylo,zlo)) continue;}
else {if(edge_z_test(c,xhi,yhi,zlo,xlo,ylo,zhi)) continue;}
} else {
if(ek>k) {if(edge_y_test(c,xhi,ylo,zlo,xlo,yhi,zhi)) continue;}
else if(ek<k) {if(edge_y_test(c,xhi,ylo,zhi,xlo,yhi,zlo)) continue;}
else {if(face_x_test(c,xhi,ylo,zlo,yhi,zhi)) continue;}
}
} else {
if(ej>j) {
if(ek>k) {if(edge_x_test(c,xlo,ylo,zlo,xhi,yhi,zhi)) continue;}
else if(ek<k) {if(edge_x_test(c,xlo,ylo,zhi,xhi,yhi,zlo)) continue;}
else {if(face_y_test(c,xlo,ylo,zlo,xhi,zhi)) continue;}
} else if(ej<j) {
if(ek>k) {if(edge_x_test(c,xlo,yhi,zlo,xhi,ylo,zhi)) continue;}
else if(ek<k) {if(edge_x_test(c,xlo,yhi,zhi,xhi,ylo,zlo)) continue;}
else {if(face_y_test(c,xlo,yhi,zlo,xhi,zhi)) continue;}
} else {
if(ek>k) {if(face_z_test(c,xlo,ylo,zlo,xhi,yhi)) continue;}
else if(ek<k) {if(face_z_test(c,xlo,ylo,zhi,xhi,yhi)) continue;}
else voro_fatal_error("Compute cell routine revisiting central block, which should never\nhappen.",VOROPP_INTERNAL_ERROR);
}
}
// Now compute the region that we are going to test over, and
// set a displacement vector for the periodic cases
ijk=con.region_index(ci,cj,ck,ei,ej,ek,qx,qy,qz,disp);
// Loop over all the elements in the block to test for cuts. It
// would be possible to exclude some of these cases by testing
// against mrs, but this will probably not save time.
if(co[ijk]>0) {
l=0;x2=x-qx;y2=y-qy;z2=z-qz;
do {
x1=p[ijk][ps*l]-x2;
y1=p[ijk][ps*l+1]-y2;
z1=p[ijk][ps*l+2]-z2;
rs=con.r_scale(x1*x1+y1*y1+z1*z1,ijk,l);
if(!c.nplane(x1,y1,z1,rs,id[ijk][l])) return false;
l++;
} while (l<co[ijk]);
}
// If there's not much memory on the block list then add more
if((qu_s<=qu_e?(qu_l-qu_e)+(qu_s-qu):qu_s-qu_e)<18) add_list_memory(qu_s,qu_e);
// Test the neighbors of the current block, and add them to the
// block list if they haven't already been tested
add_to_mask(ei,ej,ek,qu_e);
}
return true;
}
/** This function checks to see whether a particular block can possibly have
* any intersection with a Voronoi cell, for the case when the closest point
* from the cell center to the block is at a corner.
* \param[in,out] c a reference to a Voronoi cell.
* \param[in] (xl,yl,zl) the relative coordinates of the corner of the block
* closest to the cell center.
* \param[in] (xh,yh,zh) the relative coordinates of the corner of the block
* furthest away from the cell center.
* \return False if the block may intersect, true if does not. */
template<class c_class>
template<class v_cell>
bool voro_compute<c_class>::corner_test(v_cell &c,double xl,double yl,double zl,double xh,double yh,double zh) {
con.r_prime(xl*xl+yl*yl+zl*zl);
if(c.plane_intersects_guess(xh,yl,zl,con.r_cutoff(xl*xh+yl*yl+zl*zl))) return false;
if(c.plane_intersects(xh,yh,zl,con.r_cutoff(xl*xh+yl*yh+zl*zl))) return false;
if(c.plane_intersects(xl,yh,zl,con.r_cutoff(xl*xl+yl*yh+zl*zl))) return false;
if(c.plane_intersects(xl,yh,zh,con.r_cutoff(xl*xl+yl*yh+zl*zh))) return false;
if(c.plane_intersects(xl,yl,zh,con.r_cutoff(xl*xl+yl*yl+zl*zh))) return false;
if(c.plane_intersects(xh,yl,zh,con.r_cutoff(xl*xh+yl*yl+zl*zh))) return false;
return true;
}
/** This function checks to see whether a particular block can possibly have
* any intersection with a Voronoi cell, for the case when the closest point
* from the cell center to the block is on an edge which points along the x
* direction.
* \param[in,out] c a reference to a Voronoi cell.
* \param[in] (x0,x1) the minimum and maximum relative x coordinates of the
* block.
* \param[in] (yl,zl) the relative y and z coordinates of the corner of the
* block closest to the cell center.
* \param[in] (yh,zh) the relative y and z coordinates of the corner of the
* block furthest away from the cell center.
* \return False if the block may intersect, true if does not. */
template<class c_class>
template<class v_cell>
inline bool voro_compute<c_class>::edge_x_test(v_cell &c,double x0,double yl,double zl,double x1,double yh,double zh) {
con.r_prime(yl*yl+zl*zl);
if(c.plane_intersects_guess(x0,yl,zh,con.r_cutoff(yl*yl+zl*zh))) return false;
if(c.plane_intersects(x1,yl,zh,con.r_cutoff(yl*yl+zl*zh))) return false;
if(c.plane_intersects(x1,yl,zl,con.r_cutoff(yl*yl+zl*zl))) return false;
if(c.plane_intersects(x0,yl,zl,con.r_cutoff(yl*yl+zl*zl))) return false;
if(c.plane_intersects(x0,yh,zl,con.r_cutoff(yl*yh+zl*zl))) return false;
if(c.plane_intersects(x1,yh,zl,con.r_cutoff(yl*yh+zl*zl))) return false;
return true;
}
/** This function checks to see whether a particular block can possibly have
* any intersection with a Voronoi cell, for the case when the closest point
* from the cell center to the block is on an edge which points along the y
* direction.
* \param[in,out] c a reference to a Voronoi cell.
* \param[in] (y0,y1) the minimum and maximum relative y coordinates of the
* block.
* \param[in] (xl,zl) the relative x and z coordinates of the corner of the
* block closest to the cell center.
* \param[in] (xh,zh) the relative x and z coordinates of the corner of the
* block furthest away from the cell center.
* \return False if the block may intersect, true if does not. */
template<class c_class>
template<class v_cell>
inline bool voro_compute<c_class>::edge_y_test(v_cell &c,double xl,double y0,double zl,double xh,double y1,double zh) {
con.r_prime(xl*xl+zl*zl);
if(c.plane_intersects_guess(xl,y0,zh,con.r_cutoff(xl*xl+zl*zh))) return false;
if(c.plane_intersects(xl,y1,zh,con.r_cutoff(xl*xl+zl*zh))) return false;
if(c.plane_intersects(xl,y1,zl,con.r_cutoff(xl*xl+zl*zl))) return false;
if(c.plane_intersects(xl,y0,zl,con.r_cutoff(xl*xl+zl*zl))) return false;
if(c.plane_intersects(xh,y0,zl,con.r_cutoff(xl*xh+zl*zl))) return false;
if(c.plane_intersects(xh,y1,zl,con.r_cutoff(xl*xh+zl*zl))) return false;
return true;
}
/** This function checks to see whether a particular block can possibly have
* any intersection with a Voronoi cell, for the case when the closest point
* from the cell center to the block is on an edge which points along the z
* direction.
* \param[in,out] c a reference to a Voronoi cell.
* \param[in] (z0,z1) the minimum and maximum relative z coordinates of the block.
* \param[in] (xl,yl) the relative x and y coordinates of the corner of the
* block closest to the cell center.
* \param[in] (xh,yh) the relative x and y coordinates of the corner of the
* block furthest away from the cell center.
* \return False if the block may intersect, true if does not. */
template<class c_class>
template<class v_cell>
inline bool voro_compute<c_class>::edge_z_test(v_cell &c,double xl,double yl,double z0,double xh,double yh,double z1) {
con.r_prime(xl*xl+yl*yl);
if(c.plane_intersects_guess(xl,yh,z0,con.r_cutoff(xl*xl+yl*yh))) return false;
if(c.plane_intersects(xl,yh,z1,con.r_cutoff(xl*xl+yl*yh))) return false;
if(c.plane_intersects(xl,yl,z1,con.r_cutoff(xl*xl+yl*yl))) return false;
if(c.plane_intersects(xl,yl,z0,con.r_cutoff(xl*xl+yl*yl))) return false;
if(c.plane_intersects(xh,yl,z0,con.r_cutoff(xl*xh+yl*yl))) return false;
if(c.plane_intersects(xh,yl,z1,con.r_cutoff(xl*xh+yl*yl))) return false;
return true;
}
/** This function checks to see whether a particular block can possibly have
* any intersection with a Voronoi cell, for the case when the closest point
* from the cell center to the block is on a face aligned with the x direction.
* \param[in,out] c a reference to a Voronoi cell.
* \param[in] xl the minimum distance from the cell center to the face.
* \param[in] (y0,y1) the minimum and maximum relative y coordinates of the
* block.
* \param[in] (z0,z1) the minimum and maximum relative z coordinates of the
* block.
* \return False if the block may intersect, true if does not. */
template<class c_class>
template<class v_cell>
inline bool voro_compute<c_class>::face_x_test(v_cell &c,double xl,double y0,double z0,double y1,double z1) {
con.r_prime(xl*xl);
if(c.plane_intersects_guess(xl,y0,z0,con.r_cutoff(xl*xl))) return false;
if(c.plane_intersects(xl,y0,z1,con.r_cutoff(xl*xl))) return false;
if(c.plane_intersects(xl,y1,z1,con.r_cutoff(xl*xl))) return false;
if(c.plane_intersects(xl,y1,z0,con.r_cutoff(xl*xl))) return false;
return true;
}
/** This function checks to see whether a particular block can possibly have
* any intersection with a Voronoi cell, for the case when the closest point
* from the cell center to the block is on a face aligned with the y direction.
* \param[in,out] c a reference to a Voronoi cell.
* \param[in] yl the minimum distance from the cell center to the face.
* \param[in] (x0,x1) the minimum and maximum relative x coordinates of the
* block.
* \param[in] (z0,z1) the minimum and maximum relative z coordinates of the
* block.
* \return False if the block may intersect, true if does not. */
template<class c_class>
template<class v_cell>
inline bool voro_compute<c_class>::face_y_test(v_cell &c,double x0,double yl,double z0,double x1,double z1) {
con.r_prime(yl*yl);
if(c.plane_intersects_guess(x0,yl,z0,con.r_cutoff(yl*yl))) return false;
if(c.plane_intersects(x0,yl,z1,con.r_cutoff(yl*yl))) return false;
if(c.plane_intersects(x1,yl,z1,con.r_cutoff(yl*yl))) return false;
if(c.plane_intersects(x1,yl,z0,con.r_cutoff(yl*yl))) return false;
return true;
}
/** This function checks to see whether a particular block can possibly have
* any intersection with a Voronoi cell, for the case when the closest point
* from the cell center to the block is on a face aligned with the z direction.
* \param[in,out] c a reference to a Voronoi cell.
* \param[in] zl the minimum distance from the cell center to the face.
* \param[in] (x0,x1) the minimum and maximum relative x coordinates of the
* block.
* \param[in] (y0,y1) the minimum and maximum relative y coordinates of the
* block.
* \return False if the block may intersect, true if does not. */
template<class c_class>
template<class v_cell>
inline bool voro_compute<c_class>::face_z_test(v_cell &c,double x0,double y0,double zl,double x1,double y1) {
con.r_prime(zl*zl);
if(c.plane_intersects_guess(x0,y0,zl,con.r_cutoff(zl*zl))) return false;
if(c.plane_intersects(x0,y1,zl,con.r_cutoff(zl*zl))) return false;
if(c.plane_intersects(x1,y1,zl,con.r_cutoff(zl*zl))) return false;
if(c.plane_intersects(x1,y0,zl,con.r_cutoff(zl*zl))) return false;
return true;
}
/** This routine checks to see whether a point is within a particular distance
* of a nearby region. If the point is within the distance of the region, then
* the routine returns true, and computes the maximum distance from the point
* to the region. Otherwise, the routine returns false.
* \param[in] (di,dj,dk) the position of the nearby region to be tested,
* relative to the region that the point is in.
* \param[in] (fx,fy,fz) the displacement of the point within its region.
* \param[in] (gxs,gys,gzs) the maximum squared distances from the point to the
* sides of its region.
* \param[out] crs a reference in which to return the maximum distance to the
* region (only computed if the routine returns false).
* \param[in] mrs the distance to be tested.
* \return True if the region is further away than mrs, false if the region in
* within mrs. */
template<class c_class>
bool voro_compute<c_class>::compute_min_max_radius(int di,int dj,int dk,double fx,double fy,double fz,double gxs,double gys,double gzs,double &crs,double mrs) {
double xlo,ylo,zlo;
if(di>0) {
xlo=di*boxx-fx;
crs=xlo*xlo;
if(dj>0) {
ylo=dj*boxy-fy;
crs+=ylo*ylo;
if(dk>0) {
zlo=dk*boxz-fz;
crs+=zlo*zlo;if(con.r_ctest(crs,mrs)) return true;
crs+=bxsq+2*(boxx*xlo+boxy*ylo+boxz*zlo);
} else if(dk<0) {
zlo=(dk+1)*boxz-fz;
crs+=zlo*zlo;if(con.r_ctest(crs,mrs)) return true;
crs+=bxsq+2*(boxx*xlo+boxy*ylo-boxz*zlo);
} else {
if(con.r_ctest(crs,mrs)) return true;
crs+=boxx*(2*xlo+boxx)+boxy*(2*ylo+boxy)+gzs;
}
} else if(dj<0) {
ylo=(dj+1)*boxy-fy;
crs+=ylo*ylo;
if(dk>0) {
zlo=dk*boxz-fz;
crs+=zlo*zlo;if(con.r_ctest(crs,mrs)) return true;
crs+=bxsq+2*(boxx*xlo-boxy*ylo+boxz*zlo);
} else if(dk<0) {
zlo=(dk+1)*boxz-fz;
crs+=zlo*zlo;if(con.r_ctest(crs,mrs)) return true;
crs+=bxsq+2*(boxx*xlo-boxy*ylo-boxz*zlo);
} else {
if(con.r_ctest(crs,mrs)) return true;
crs+=boxx*(2*xlo+boxx)+boxy*(-2*ylo+boxy)+gzs;
}
} else {
if(dk>0) {
zlo=dk*boxz-fz;
crs+=zlo*zlo;if(con.r_ctest(crs,mrs)) return true;
crs+=boxz*(2*zlo+boxz);
} else if(dk<0) {
zlo=(dk+1)*boxz-fz;
crs+=zlo*zlo;if(con.r_ctest(crs,mrs)) return true;
crs+=boxz*(-2*zlo+boxz);
} else {
if(con.r_ctest(crs,mrs)) return true;
crs+=gzs;
}
crs+=gys+boxx*(2*xlo+boxx);
}
} else if(di<0) {
xlo=(di+1)*boxx-fx;
crs=xlo*xlo;
if(dj>0) {
ylo=dj*boxy-fy;
crs+=ylo*ylo;
if(dk>0) {
zlo=dk*boxz-fz;
crs+=zlo*zlo;if(con.r_ctest(crs,mrs)) return true;
crs+=bxsq+2*(-boxx*xlo+boxy*ylo+boxz*zlo);
} else if(dk<0) {
zlo=(dk+1)*boxz-fz;
crs+=zlo*zlo;if(con.r_ctest(crs,mrs)) return true;
crs+=bxsq+2*(-boxx*xlo+boxy*ylo-boxz*zlo);
} else {
if(con.r_ctest(crs,mrs)) return true;
crs+=boxx*(-2*xlo+boxx)+boxy*(2*ylo+boxy)+gzs;
}
} else if(dj<0) {
ylo=(dj+1)*boxy-fy;
crs+=ylo*ylo;
if(dk>0) {
zlo=dk*boxz-fz;
crs+=zlo*zlo;if(con.r_ctest(crs,mrs)) return true;
crs+=bxsq+2*(-boxx*xlo-boxy*ylo+boxz*zlo);
} else if(dk<0) {
zlo=(dk+1)*boxz-fz;
crs+=zlo*zlo;if(con.r_ctest(crs,mrs)) return true;
crs+=bxsq+2*(-boxx*xlo-boxy*ylo-boxz*zlo);
} else {
if(con.r_ctest(crs,mrs)) return true;
crs+=boxx*(-2*xlo+boxx)+boxy*(-2*ylo+boxy)+gzs;
}
} else {
if(dk>0) {
zlo=dk*boxz-fz;
crs+=zlo*zlo;if(con.r_ctest(crs,mrs)) return true;
crs+=boxz*(2*zlo+boxz);
} else if(dk<0) {
zlo=(dk+1)*boxz-fz;
crs+=zlo*zlo;if(con.r_ctest(crs,mrs)) return true;
crs+=boxz*(-2*zlo+boxz);
} else {
if(con.r_ctest(crs,mrs)) return true;
crs+=gzs;
}
crs+=gys+boxx*(-2*xlo+boxx);
}
} else {
if(dj>0) {
ylo=dj*boxy-fy;
crs=ylo*ylo;
if(dk>0) {
zlo=dk*boxz-fz;
crs+=zlo*zlo;if(con.r_ctest(crs,mrs)) return true;
crs+=boxz*(2*zlo+boxz);
} else if(dk<0) {
zlo=(dk+1)*boxz-fz;
crs+=zlo*zlo;if(con.r_ctest(crs,mrs)) return true;
crs+=boxz*(-2*zlo+boxz);
} else {
if(con.r_ctest(crs,mrs)) return true;
crs+=gzs;
}
crs+=boxy*(2*ylo+boxy);
} else if(dj<0) {
ylo=(dj+1)*boxy-fy;
crs=ylo*ylo;
if(dk>0) {
zlo=dk*boxz-fz;
crs+=zlo*zlo;if(con.r_ctest(crs,mrs)) return true;
crs+=boxz*(2*zlo+boxz);
} else if(dk<0) {
zlo=(dk+1)*boxz-fz;
crs+=zlo*zlo;if(con.r_ctest(crs,mrs)) return true;
crs+=boxz*(-2*zlo+boxz);
} else {
if(con.r_ctest(crs,mrs)) return true;
crs+=gzs;
}
crs+=boxy*(-2*ylo+boxy);
} else {
if(dk>0) {
zlo=dk*boxz-fz;crs=zlo*zlo;if(con.r_ctest(crs,mrs)) return true;
crs+=boxz*(2*zlo+boxz);
} else if(dk<0) {
zlo=(dk+1)*boxz-fz;crs=zlo*zlo;if(con.r_ctest(crs,mrs)) return true;
crs+=boxz*(-2*zlo+boxz);
} else {
crs=0;
voro_fatal_error("Min/max radius function called for central block, which should never\nhappen.",VOROPP_INTERNAL_ERROR);
}
crs+=gys;
}
crs+=gxs;
}
return false;
}
template<class c_class>
bool voro_compute<c_class>::compute_min_radius(int di,int dj,int dk,double fx,double fy,double fz,double mrs) {
double t,crs;
if(di>0) {t=di*boxx-fx;crs=t*t;}
else if(di<0) {t=(di+1)*boxx-fx;crs=t*t;}
else crs=0;
if(dj>0) {t=dj*boxy-fy;crs+=t*t;}
else if(dj<0) {t=(dj+1)*boxy-fy;crs+=t*t;}
if(dk>0) {t=dk*boxz-fz;crs+=t*t;}
else if(dk<0) {t=(dk+1)*boxz-fz;crs+=t*t;}
return crs>con.r_max_add(mrs);
}
/** Adds memory to the queue.
* \param[in,out] qu_s a reference to the queue start pointer.
* \param[in,out] qu_e a reference to the queue end pointer. */
template<class c_class>
inline void voro_compute<c_class>::add_list_memory(int*& qu_s,int*& qu_e) {
qu_size<<=1;
int *qu_n=new int[qu_size],*qu_c=qu_n;
#if VOROPP_VERBOSE >=2
fprintf(stderr,"List memory scaled up to %d\n",qu_size);
#endif
if(qu_s<=qu_e) {
while(qu_s<qu_e) *(qu_c++)=*(qu_s++);
} else {
while(qu_s<qu_l) *(qu_c++)=*(qu_s++);qu_s=qu;
while(qu_s<qu_e) *(qu_c++)=*(qu_s++);
}
delete [] qu;
qu_s=qu=qu_n;
qu_l=qu+qu_size;
qu_e=qu_c;
}
// Explicit template instantiation
template voro_compute<container>::voro_compute(container&,int,int,int);
template voro_compute<container_poly>::voro_compute(container_poly&,int,int,int);
template bool voro_compute<container>::compute_cell(voronoicell&,int,int,int,int,int);
template bool voro_compute<container>::compute_cell(voronoicell_neighbor&,int,int,int,int,int);
template void voro_compute<container>::find_voronoi_cell(double,double,double,int,int,int,int,particle_record&,double&);
template bool voro_compute<container_poly>::compute_cell(voronoicell&,int,int,int,int,int);
template bool voro_compute<container_poly>::compute_cell(voronoicell_neighbor&,int,int,int,int,int);
template void voro_compute<container_poly>::find_voronoi_cell(double,double,double,int,int,int,int,particle_record&,double&);
// Explicit template instantiation
template voro_compute<container_periodic>::voro_compute(container_periodic&,int,int,int);
template voro_compute<container_periodic_poly>::voro_compute(container_periodic_poly&,int,int,int);
template bool voro_compute<container_periodic>::compute_cell(voronoicell&,int,int,int,int,int);
template bool voro_compute<container_periodic>::compute_cell(voronoicell_neighbor&,int,int,int,int,int);
template void voro_compute<container_periodic>::find_voronoi_cell(double,double,double,int,int,int,int,particle_record&,double&);
template bool voro_compute<container_periodic_poly>::compute_cell(voronoicell&,int,int,int,int,int);
template bool voro_compute<container_periodic_poly>::compute_cell(voronoicell_neighbor&,int,int,int,int,int);
template void voro_compute<container_periodic_poly>::find_voronoi_cell(double,double,double,int,int,int,int,particle_record&,double&);
}

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