/*
A random organic alkane is generated, and its name is determined!
Basically, a hexagonal grid is created by assigning every other
point of a Cartesian plane with 'up' and 'down' characteristics:
y x z
| \ /
/ \ 'uxyz' | 'dxyz' where x,y,z are 0/1
x z y
16 images are loaded, encompassing all possibilities: u000,u001,...,d111.
A table is generated on the fly containing just the right images and
presented to the user.
Current Limitations:
(1) no branched branches (yet).
(2) no competing longest chains.
(3) no quaternary Cs (yet).
(4) acyclic alkanes only.
*/
HMAX=14 /* Columns */
VMAX=14 /* Rows */
ORIGIN=[3,7]
MINLEN=4 /* Shortest parent chain */
MAXBRANCHLEN=3 /* Longest branch allowed */
DEBUG=0 /* =1 for debugging */
/* You may add more prefixes. Make sure it is in BOTH of the next two arrays */
Name=new Array("","meth","eth","prop","but","pent","hex","hept","oct","non","dec","undec","dodec")
AlphaOrder=new Array(4,10,2,12,7,6,1,9,8,5,3,11) /* but,dec,di,etc...*/
MAXLEN=Name.length-1
Prename=new Array("","","di","tri","tetra","penta","hexa","hepta","octa","nona","deca","undeca","dodeca")
Grid=new Array() /* an HMAX x VMAX array of points */
Atom=new Array() /* hash containing i,j,up, and root */
NName=new Array() /* NName[n] = # of branches of length n for di,tri, etc. */
Rows=[999,0]
Cols=[999,0]
SubsLtoR=new Array()
Structure=new Array()
/* an array of arrays [n][iatom] = # of branches of length n at each pt
note: we don't know which end is which until we are all done! */
DigitCodes="abcdefghijklmnopqrstuvwxyz" /* used for random branch locations */
clen=0 /* chain length */
ix=0 /* x-coord */
iy=0 /* y-coord */
nC=0 /* # of carbons */
up=0 /* up=1,down=0 */
nsubLtoR=0 /* used to determine L--R or R--L numbering */
nsubRtoL=0
sdebug="" /* displayed at end when DEBUG=1*/
sname="Click 'New' to generate a new structure first." /* final compound name */
sanalysis=sname /* help */
sanalysis0=sname
schain="" /* (1,2)(1,3) etc */
answer=""
function dowrite(doc,s,isrep)
{
if(arguments.length==2)isrep=true
isrep?doc.open("text/html","replace"):doc.open()
doc.write(""+s+"")
doc.close()
}
function isay(what){
if(what==answer){
dowrite(parent.fraAA.document,"Correct. These two structures are "+answer+". another")
}else{
if(sanalysis==sanalysis0){another(true)}
sanalysis0=sanalysis
dowrite(parent.fraAA.document,"" + sname2 + "
another")
another(false)
}
if(answer=="the same") {
dowrite(parent.fraStatusA.document,"
"+sname+"
")
} else {
dowrite(parent.fraStatusA.document,""+sname1+"
")
parent.fraQA.document.getElementById("name2").innerHTML = ""+sname1b+"
"
}
}
function another(isnew){
//window.location=document.URL
if (isnew){
smake2=""
sname1=""
sname2=""
sname1b=""
dowrite(parent.fraStatusA.document,"")
dowrite(parent.fraAA.document,"Are these two structures different or the same?
")
sanalysis=sanalysis0
createstructure(true)
var s=maketable(true)
smake2=maketable(false)
var sn=sname + "\n"+Structure
sname1=sname
createstructure(false)
s+=maketable(true)
smake2+=maketable(false)
sname1b=sname
answer=(sname1b==sname1?"the same":"different")
sname2=(sname1b==sname1?"These two structures are the same.
"+sanalysis
:"These two structures are different.")
if(sname1!=sname1b)sname=""
}else{
var s=smake2
}
if(DEBUG){
s+=maketable2()
s+="
" + sdebug + "
"
s= sname + "" + s
}
dowrite(parent.fraQA.document,s + "
")
if(isnew && sanalysis==sanalysis0){another(true)}
}
function initialize(){
sanalysis=""
sdebug=""
sname=""
schain=""
nC=0
nsubLtoR=0
nsubRtoL=0
Rows=[999,0]
Cols=[999,0]
up=0
Grid=new Array()
Atom=new Array()
SubsLtoR=new Array()
NName=new Array()
for (var i=1;i<=MAXLEN;i++){
NName[i]=0
SubsLtoR[i]=new Array()
for (var j=1;j<=MAXLEN;j++){
SubsLtoR[i][j]=0
}
}
for (var i=1;i<=HMAX;i++){Grid[i]=new Array()}
for (var j=1;j<=VMAX;j++){
for (var i=1;i<=HMAX;i++){Grid[i][j]=0}
}
}
function createstructure(isnew){
var blen=0
var root=0
var slist=""
initialize()
if(isnew){
Structure=new Array()
clen=Math.floor(Math.random()*(MAXLEN-MINLEN)+MINLEN)+1
getchain(clen)
Structure[0]=new Array(clen,0)
slist=DigitCodes.substring(2,clen)
var ilen=Math.floor(Math.random()*MAXBRANCHLEN)+1
for (var i=1;i<=ilen;i++){
if(slist=="")return
var na=Math.floor(Math.random()*slist.length)
var n=DigitCodes.indexOf(slist.substring(na,na+1))
slist=slist.substring(0,na)+slist.substring(na+1,slist.length)
root=Atom[n]["root"]
//if(root>2){root--}
/* ensures that the first chain is the valid longest chain
(only important if adding branches to branches)
*/
blen=Math.floor(Math.random()*root+1)
Structure[0][1]+=blen
Structure[i]=new Array(n,blen)
}
}else{
clen=Structure[0][0]
getchain(clen)
}
sname=Name[clen]+"ane"
for (var i=1;i":"")+s1 + "and
"+(sname==s1?"":"")+s2+",
the "+(sname==s1?"first":"second")+" is correct."
}else{
sname=(s1>s2?s2:s1)
if(s1!=s2){
sanalysis="Of the two possible numbering schemes,
"+(sname==s1?"":"")+s1 + "
and
"+(sname==s1?"":"")+s2+"
the "+(sname==s1?"first":"second")+" results in the lower numbering for the first-cited substituent."
}else{
sanalysis="Only one numbering scheme is possible in this case:
" + sname
}
}
sdebug+="\n"+nsubLtoR + ","+nsubRtoL
}
function getname(clen,mode){
var s=""
var n=0
var sn=""
for(var i=0;i<=MAXLEN;i++){
n=AlphaOrder[i]
//sdebug+="\n"+n+" "+NName[n]
if(NName[n]){
if(s.length){s+="-"}
s+=getsubname(n,mode)+"-"+Prename[NName[n]]+Name[n]+"yl"
}
}
return s+sname
}
function getsubname(n,LtoR)
{
var sn=""
if(LtoR){
for(var j=1;j!=MAXLEN;j++){
for(var k=1;k<=SubsLtoR[n][j];k++){
sn+=(sn==""?"":",")+j
}
}
}else{
for(var j=MAXLEN;j>=1;j--){
for(var k=1;k<=SubsLtoR[n][j];k++){
sn+=(sn==""?"":",")+(clen+1-j)
}
}
}
return sn
}
function getchain(l){
var root=0
sdebug+= "\nchain " + l
for (var n=1;n<=l;n++){
getnextpt(root)
if(root>=0 && nl/2)root--
schain+="("+Atom[nC]["i"]+","+Atom[nC]["j"]+")"
}
}
function addbranch(clen,iatom,blen){
ix=Atom[iatom]["i"]
iy=Atom[iatom]["j"]
up=1-Atom[iatom]["up"]
var n=blen
var nC0=nC
for (var i=1;i<=n;i++){
var trying=10
while(trying){
trying--
getnextpt(-1)
if(nC>nC0){trying=0}
}
}
n=nC-nC0
if(n){
NName[n]++
SubsLtoR[n][iatom]++
nsubLtoR=nsubLtoR+Math.pow(2,iatom)
nsubRtoL=nsubRtoL+Math.pow(2,clen+1-iatom)
}
return n
}
function getnextpt(root){
//alert(up)
var i=ix
var j=iy
var j2=iy+(up?1:-1)
if(root<0){
if(Math.random()>0.5 || Grid[ix][j2]){
i+=(Math.random()>0.5?1:-1)
// sdebug+="\ntryingi " +i + " " + j + " up " + up
if(i<1||i>=HMAX){return}
if(i+1!=ix && i1 && Grid[i-1][j]){sdebug+=" b";return}
if(!up && j1 && Grid[i][j-1]){sdebug+=" d";return}
}else{
j=j2
// sdebug+="\ntryingj " +i + " " + j
if(j<1||j>=VMAX){return}
if(i1 && Grid[i-1][j]){return}
}
}else{
if(nC==0){
i=ORIGIN[0]
j=ORIGIN[1]
}else{
if(Math.random()>0.5 || Grid[ix][j2]){
i++
}else{
j=j2
}
}
}
if (Grid[i][j]){sdebug+= " Grid["+i+","+j+"]!=0";return}
ix=i
iy=j
Grid[ix][iy]=1
if(ixCols[1]){Cols[1]=ix}
if(iyRows[1]){Rows[1]=iy}
nC++
Atom[nC]=new Array()
Atom[nC]["i"]=ix
Atom[nC]["j"]=iy
Atom[nC]["root"]=root
Atom[nC]["up"]=up
sdebug+="\nnextpt "+nC + ":" + ix + " " + iy + " " + root + " " + up
up=1-up
}
function maketable(isnew){
var up=0
var row=1
var a1=0
var a2=0
var a3=0
var j2=0
var sc=""
var salt=""
var s=""
//alert(schain)
for (var j=1;j<=Rows[1];j++){
if(j>=Rows[0]){
s+="\n"
up=(row?0:1)
for (var i=1;i<=Cols[1];i++){
if(i>=Cols[0]){
if (Grid[i][j]){
j2=j+(up?-1:1)
s+=" | \n"
}else{
s+=" | \n"
}
}
up=1-up
}
s+="
\n"
}
row=1-row
}
return s+"
"
}
function ischain(i,j){
return(schain.indexOf("("+i+","+j+")")>=0)
}
function maketable2(){
var up=0
var row=0
var s=""
for (var j=1;j"
}
function clearFrames(trigger) {
if(!trigger) {
setTimeout('clearFrames(1)',200)
return
}
if (!parent.fraQA.document.getElementById("name2"))return
dowrite(parent.fraStatusA.document,"")
dowrite(parent.fraQA.document,"")
dowrite(parent.fraAA.document,"")
}