Page 365 - Handbook Of Multiphase Flow Assurance

364 10. Research methods in flow assurance

end; {end of j–loop}
if(not found)and(nr<nmax) then
begin
nr:=nr+1;
closed:=false;
rin[nr]:=nnext;
Choice;
end;

1:if found and (nr<nmax) then {found next link – exit j–loop}
begin
if nr>=2 then {if more than 2 molecules, }
begin {then check for ring closure}
closed:=false;
for j:=1 to n do
if ((nhb[j,1]=rin[1])and(nhb[j,2]=nnext))or
((nhb[j,2]=rin[1])and(nhb[j,1]=nnext)) then
begin
closed:=true; {nnext closed ring, add it to rin}
nbond:=j;
nr:=nr+1;
rin[nr]:=nnext;
bonds[nr]:=nbond;
Choice;
end;
end;

short:=false; {check for ring short–cicuitedness}
if closed and(nr>3) then {for rings of size 4 or more}
begin
npass:=0;
for j:=1 to nr do {count number of passes through PBC}
if pass[bonds[j]]<>0 then
npass:=npass+1;
if npass=1 then short:=true; {one pass means ring is pass–chain}
if npass=2 then
begin
npb:=false;
for j:=1 to nr do
if pass[bonds[j]]<>0 then
if npb then
npass2:=pass[bonds[j]]
else
begin
npb:=true;