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Viewing changes to src/v_cell.cpp

Committer: Package Import Robot
Author(s): Daniel Leidert
Date: 2014-01-18 20:07:16 UTC
mfrom: (1.1.8)
Revision ID: package-import@ubuntu.com-20140118200716-whsmcg7fa1eyqecq

Tags: 140117-1

New upstream release.

files added:
src/plproj.cpp

src/plproj.h

files modified:
Makefile

README

debian/changelog

src/2df.cpp

src/2df.h

src/3df.cpp

src/3df.h

src/acf.cpp

src/acf.h

src/aggregate.h

src/analysis.h

src/analysisgroup.cpp

src/analysisgroup.h

src/asciiart.cpp

src/asciiart.h

src/atomgroup.cpp

src/atomgroup.h

src/backtrace.cpp

src/backtrace.h

src/base64.cpp

src/base64.h

src/bintools.cpp

src/bintools.h

src/bintree.cpp

src/bintree.h

src/cluster.cpp

src/cluster.h

src/config.h

src/dacf.cpp

src/dacf.h

src/database.cpp

src/database.h

src/df.cpp

src/df.h

src/element.h

src/elementdata.cpp

src/fesa.cpp

src/fesa.h

src/ffgen.cpp

src/ffgen.h

src/ffparm.cpp

src/fft.cpp

src/fft.h

src/gather.cpp

src/globalvar.cpp

src/globalvar.h

src/grace.cpp

src/grace.h

src/interface.cpp

src/interface.h

src/internalcoord.cpp

src/internalcoord.h

src/kiss_fft.cpp

src/kiss_fft.h

src/kiss_fft_guts.h

src/lmmin.cpp

src/lmmin.h

src/lmwrapper.cpp

src/lmwrapper.h

src/ltspec.cpp

src/ltspec.h

src/maintools.cpp

src/maintools.h

src/microhet.cpp

src/microhet.h

src/moltools.cpp

src/moltools.h

src/nbexchange.cpp

src/nbexchange.h

src/nbsearch.cpp

src/nbsearch.h

src/normalmode.cpp

src/normalmode.h

src/pdf.cpp

src/pdf.h

src/raman.cpp

src/raman.h

src/random.cpp

src/random.h

src/react.cpp

src/react.h

src/region.cpp

src/region.h

src/reordyn.cpp

src/reordyn.h

src/resp.cpp

src/resp.h

src/revsdf.cpp

src/revsdf.h

src/sdengine.cpp

src/sdengine.h

src/spectrum.cpp

src/spectrum.h

src/statistics.cpp

src/statistics.h

src/structurefactor.cpp

src/structurefactor.h

src/thermo.cpp

src/thermo.h

src/timestep.cpp

src/timestep.h

src/tools.cpp

src/tools.h

src/travis.cpp

src/travis.h

src/v_base_wl.cpp

src/v_c_loops.h

src/v_cell.cpp

src/v_cell.h

src/v_common.h

src/v_compute.cpp

src/v_compute.h

src/v_config.h

src/v_container.cpp

src/v_container.h

src/v_container_prd.cpp

src/v_container_prd.h

src/v_pre_container.cpp

src/voroanalysis.cpp

src/voroanalysis.h

src/vorowrapper.cpp

src/vorowrapper.h

src/xbytearray.cpp

src/xbytearray.h

src/xdf.cpp

src/xdf.h

src/xdmatrix3.cpp

src/xdmatrix3.h

src/xdoublearray.cpp

src/xdoublearray.h

src/xdvec3array.cpp

src/xdvec3array.h

src/xdvector3.cpp

src/xdvector3.h

src/xfloatarray.cpp

src/xfloatarray.h

src/xintarray.cpp

src/xintarray.h

src/xlongarray.cpp

src/xlongarray.h

src/xmatrix3.cpp

src/xmatrix3.h

src/xobarray.cpp

src/xobarray.h

src/xobject.h

src/xptrarray.cpp

src/xptrarray.h

src/xquaternion.h

src/xstring.cpp

src/xstring.h

src/xvec3array.cpp

src/xvec3array.h

src/xvector3.cpp

src/xvector3.h

src/xwordarray.cpp

src/xwordarray.h

src/ziggurat.cpp

src/ziggurat.h

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added added

removed removed

src/v_cell.cpp

#include "v_config.h"

#include "v_common.h"

#include "v_cell.h"

#include "tools.h"

/** Constructs a Voronoi cell and sets up the initial memory. */

delete [] nu;delete [] ed;

}

void voronoicell_base::check_memory_for_copy(voronoicell_neighbor &vc,voronoicell_base* vb) {

while(current_vertex_order<vb->current_vertex_order) add_memory_vorder(vc);

for(int i=0;i<current_vertex_order;i++) while(mem[i]<vb->mec[i]) add_memory(vc,i,ds2);

while(current_vertices<vb->p) add_memory_vertices(vc);

}

void voronoicell_base::check_memory_for_copy(voronoicell_neighbor &vc,voronoicell_base* vb) {

while(current_vertex_order<vb->current_vertex_order) add_memory_vorder(vc);

for(int i=0;i<current_vertex_order;i++) while(mem[i]<vb->mec[i]) add_memory(vc,i,ds2);

while(current_vertices<vb->p) add_memory_vertices(vc);

}

/** Copies the vertex and edge information from another class. The routine

377

* \param[in] vc a reference to the specialized version of the calling class.

378

* \param[in] lp the index of the point to add.

379

* \param[in,out] stackp2 a pointer to the end of the stack entries. */

380

inline void voronoicell_base::add_to_stack(voronoicell_neighbor &vc,int lp,int *&stackp2) {

381

(void)vc; /* Suppress "unused parameter" warning */

380

inline void voronoicell_base::add_to_stack(voronoicell_neighbor &vc,int lp,int *&stackp2) {

381

(void)vc; /* Suppress "unused parameter" warning */

382

for(int *k = (ds2);k<stackp2;k++) if(*k==lp) return;

383

if(stackp2==stacke2) add_memory_ds2(stackp2);

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*(stackp2++)=lp;

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* \param[in] (x,y,z) the normal vector to the plane.

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* \param[in] rsq the distance along this vector of the plane.

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* \param[in] p_id the plane ID (for neighbor tracking only).

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* \return False if the plane cut deleted the cell entirely, true otherwise. */

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* \return False if the plane cut deleted the cell entirely, true otherwise. */

395

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bool voronoicell_base::nplane(voronoicell_neighbor &vc,double x,double y,double z,double rsq,int p_id) {

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int count=0,i,j,k,lp=up,cp,qp,rp,*stackp = (ds),*stackp2 = (ds2),*dsp;

421

us++;

422

} while (us<nu[up]);

423

424

if(us==nu[up]) {

424

if(us==nu[up]) {

425

mprintf("\nB1.");

426

return false;

427

}

444

us++;

445

}

446

if(us==nu[up]) {

447

mprintf("\nB2.");

447

mprintf("\nB2.");

448

return false;

449

}

450

}

504

complicated_setup=true;

505

}

506

}

507

catch(bool except) {

508

if (except)

507

catch(bool except) {

508

if (except)

509

except = 1;

510

// This routine is a fall-back, in case floating point errors

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// cause the usual search routine to fail. In the fall-back

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break;

571

}

572

}

573

if(qp==p) return qw==-1?true:false;

574

575

if (qp==p)

576

{

577

if (qw==-1)

578

{

579

return true;

580

} else

581

{

582

mprintf("\nB3.");

583

return false;

584

}

573

if(qp==p) return qw==-1?true:false;

574

575

if (qp==p)

576

{

577

if (qw==-1)

578

{

579

return true;

580

} else

581

{

582

mprintf("\nB3.");

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return false;

584

}

585

}

586

}

587

597

// to find a vertex that has edges which are all inside or on

598

// the plane. If the vertex has neighbors that are also on the

599

// plane, we should check those too.

600

if(!search_for_outside_edge(vc,up))

601

{

602

mprintf("\nB4.");

603

return false;

600

if(!search_for_outside_edge(vc,up))

601

{

602

mprintf("\nB4.");

603

return false;

604

}

605

606

// The search algorithm found a point which is on the cutting

629

// then all of the vertices are inside

630

// or on the plane, so the cell is completely

631

// deleted

632

if(i==nu[up])

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{

634

mprintf("\nB5.");

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return false;

632

if(i==nu[up])

633

{

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mprintf("\nB5.");

635

return false;

636

}

637

lp=ed[up][i];

638

lw=m_test(lp,l);

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