Lines Matching refs:mptr1
70 int morebireact(simptr sim,rxnptr rxn,moleculeptr mptr1,moleculeptr mptr2,int ll1,int m1,int ll2,en…
2627 int doreact(simptr sim,rxnptr rxn,moleculeptr mptr1,moleculeptr mptr2,int ll1,int m1,int ll2,int m2… in doreact() argument
2642 order=(mptr1?1:0)+(mptr2?1:0); in doreact()
2652 for(d=0;d<dim;d++) rxnpos[d]=mptr1->pos[d]; in doreact()
2653 rxnpnl=mptr1->pnl; in doreact()
2654 rxnbptr=mptr1->box; } in doreact()
2657 dc1=mols->difc[mptr1->ident][mptr1->mstate]; in doreact()
2661 for(d=0;d<dim;d++) rxnpos[d]=x*mptr1->pos[d]+(1.0-x)*mptr2->pos[d]; in doreact()
2662 if(mptr1->pnl || mptr2->pnl) { in doreact()
2663 if(mptr1->pnl && ptinpanel(rxnpos,mptr1->pnl,dim)) rxnpnl=mptr1->pnl; in doreact()
2665 else if(mptr1->pnl) in doreact()
2666 closestsurfacept(mptr1->pnl->srf,dim,rxnpos,NULL,&rxnpnl,mptr1->box); in doreact()
2670 rxnbptr=(dc1<=dc2)?mptr1->box:mptr2->box; } in doreact()
2675 else if(mptr1 && ListMemberLI(rxn->logserno,mptr1->serno&0xFFFFFFFF)) dorxnlog=1; in doreact()
2676 else if(mptr1 && ListMemberLI(rxn->logserno,(mptr1->serno>>32))) dorxnlog=1; in doreact()
2703 mptrfrom=(prd==0)?mptr1:mptr2; in doreact()
2712 mptrfrom=mptr1; in doreact()
2723 …pvalue=Geo_SphereReflectSphere(mptr1->posx,mptr1->pos,mptr2->posx,mptr2->pos,dim,rxn->bindrad2,v1,… in doreact()
2731 v1[d]=mptr2->pos[d]-mptr1->pos[d]; // v1 is from mptr1 to mptr2 in doreact()
2741 mptr->pos[d]=mptr1->pos[d]-x*rxn->prdpos[0][0]*v1[d]; } in doreact()
2742 mptr->box=mptr1->box; in doreact()
2743 mptr->pnl=mptr1->pnl; in doreact()
2744 mptr->pnlx=mptr1->pnlx; in doreact()
2745 mptr->serno=mptr1->serno; in doreact()
2747 mptr->posx[d]=mptr1->pos[d]; in doreact()
2748 mptr->posoffset[d]=mptr1->posoffset[d]; } in doreact()
2778 mptr->pnl=mptr1->pnl; in doreact()
2779 mptr->pnlx=mptr1->pnlx; } in doreact()
2841 …mptr->serno=molfindserno(sim,mptr->serno,pserno,mptr1?mptr1->serno:0,mptr2?mptr2->serno:0,sernolis… in doreact()
2855 if(mptr1) scmdfprintf(sim->cmds,fptr," %s",molserno2string(mptr1->serno,string)); in doreact()
2863 if(mptr1) molkill(sim,mptr1,ll1,m1); // kill reactants in doreact()
3074 int morebireact(simptr sim,rxnptr rxn,moleculeptr mptr1,moleculeptr mptr2,int ll1,int m1,int ll2,en… in morebireact() argument
3080 …if(rxn->cmpt && !(posincompart(sim,mptr1->pos,rxn->cmpt,0) && posincompart(sim,mptr2->pos,rxn->cmp… in morebireact()
3081 …if(rxn->srf && !((mptr1->pnl && mptr1->pnl->srf==rxn->srf ) || (mptr2->pnl && mptr2->pnl->srf==rxn… in morebireact()
3084 if(mptr1->pnl && mptr2->pnl && mptr1->pnl!=mptr2->pnl) { // intersurface reaction in morebireact()
3088 if(mptr1->ident==rxn->rctident[0]) { in morebireact()
3089 mptrA=mptr1; in morebireact()
3094 mptrB=mptr1; in morebireact()
3107 if(sim->mols->difc[mptr1->ident][mptr1->mstate]<sim->mols->difc[mptr2->ident][mptr2->mstate]) in morebireact()
3109 shift=mptr1->pos[d]+vect[d]-mptr2->pos[d]; in morebireact()
3115 shift=mptr2->pos[d]-vect[d]-mptr1->pos[d]; in morebireact()
3116 mptr1->posoffset[d]-=shift; in morebireact()
3117 mptr1->pos[d]+=shift; in morebireact()
3118 mptr1->posx[d]+=shift; }} in morebireact()
3127 void setBiReactRateForHybrid(simptr sim,rxnptr rxn,moleculeptr mptr1,moleculeptr mptr2,int r) in setBiReactRateForHybrid() argument
3135 pos[dimIdx] = (mptr1->pos[dimIdx] + mptr2->pos[dimIdx])/2; in setBiReactRateForHybrid()
3139 if(mptr1->pnl) in setBiReactRateForHybrid()
3141 rxn -> rate = evaluateMemRnxRate(sim, rxn, pos, mptr1->pnl->pname); in setBiReactRateForHybrid()
3173 moleculeptr **live,*mlist2,mptr1,mptr2; in bireact() local
3192 mptr1=live[ll1][m1]; in bireact()
3193 bptr=mptr1->box; in bireact()
3196 for(m2=0;m2<nmol2 && mlist2[m2]!=mptr1;m2++) { in bireact()
3198 i=mptr1->ident*maxspecies+mptr2->ident; in bireact()
3202 setBiReactRateForHybrid(sim, rxn, mptr1, mptr2, table[i][j]); in bireact()
3206 dist2+=(mptr1->pos[d]-mptr2->pos[d])*(mptr1->pos[d]-mptr2->pos[d]); in bireact()
3207 …==1 || randCOD()<rxn->prob) && (mptr1->mstate!=MSsoln || mptr2->mstate!=MSsoln || !rxnXsurface(sim… in bireact()
3208 if(morebireact(sim,rxn,mptr1,mptr2,ll1,m1,ll2,ETrxn2intra,NULL)) return 1; in bireact()
3209 if(mptr1->ident==0) { in bireact()
3218 mptr1=live[ll1][m1]; in bireact()
3219 bptr=mptr1->box; in bireact()
3228 i=mptr1->ident*maxspecies+mptr2->ident; in bireact()
3232 setBiReactRateForHybrid(sim, rxn, mptr1, mptr2, table[i][j]); in bireact()
3234 dist2=wallcalcdist2(sim,mptr1->pos,mptr2->pos,wpcode,vect); in bireact()
3235 …if(dist2<=rxn->bindrad2 && (rxn->prob==1 || randCOD()<rxn->prob) && mptr1->ident!=0 && mptr2->iden… in bireact()
3236 if(morebireact(sim,rxn,mptr1,mptr2,ll1,m1,ll2,ETrxn2wrap,vect)) return 1; in bireact()
3237 if(mptr1->ident==0) { in bireact()
3245 i=mptr1->ident*maxspecies+mptr2->ident; in bireact()
3249 setBiReactRateForHybrid(sim, rxn, mptr1, mptr2, table[i][j]); in bireact()
3253 dist2+=(mptr1->pos[d]-mptr2->pos[d])*(mptr1->pos[d]-mptr2->pos[d]); in bireact()
3254 …=1 || randCOD()<rxn->prob) && (mptr1->mstate!=MSsoln || mptr2->mstate!=MSsoln || !rxnXsurface(sim… in bireact()
3255 if(morebireact(sim,rxn,mptr1,mptr2,ll1,m1,ll2,ETrxn2inter,NULL)) return 1; in bireact()
3256 if(mptr1->ident==0) { in bireact()