# Timings are for 6ucy
# BLOCK 1: < 1 SEC
locsPerAtomBitset1 = {config=0 and altloc != ""};                                             
altlocMultBitset = {%? and not config=0}; # All multiple locations.
print altlocMultBitset.size


# BLOCK 2: < 1 SEC
locsperatomjson = {altloc != "" and not config=0}.label("[%n]%r:%[chain].%a").pivot().pivot();
print locsperatomjson.size


# BLOCK 3: ~18 sec
locsPerAtomBitset2 = {@{locsperatomjson[2]}};
	locsPerAtomBitset3 = {@{locsperatomjson[3]}};
	locsPerAtomBitset4 = {@{locsperatomjson[4]}};
	locsPerAtomBitset5 = {@{locsperatomjson[5]}};
	locsPerAtomBitset6 = {@{locsperatomjson[6]}} or {@{locsperatomjson[7]}} or {@{locsperatomjson[8]}};
	
# BLOCK 4: ≤ 1 sec
	~configCount = 1;
	if (locsPerAtomBitset2.count) {~configCount = 2};
	if (locsPerAtomBitset3.count) {~configCount = 3};
	if (locsPerAtomBitset4.count) {~configCount = 4};
	if (locsPerAtomBitset5.count) {~configCount = 5};
	if (locsPerAtomBitset6.count) {~configCount = 6};
print ~configCount


# BLOCK 5: ~22 sec
previous = "";
	locnum = 0;
	atlabel = "";
	atomNthLocs = [];
	for (var i = 1; i <= 7; i++) {atomNthLocs[i] = {none}};
	amax = altlocMultBitset.size;

	for (i=1; i <= amax; i++)
	{
		atlabel = altlocMultBitset[i].label("[%n]%r:%c.%a");
		if (atlabel != previous) {locnum = 1;}
		else {locnum++};
		atomNthLocs[locnum] = atomNthLocs[locnum] or altlocMultBitset[i];
		previous = atlabel;
	}
	select {@{atomNthLocs[2]}}
	
	
	# BLOCK 6: < 1 sec
	conf[1] = {%} or locsPerAtomBitset1 or atomNthLocs[1];
	conf[2] = {%} or locsPerAtomBitset1 or atomNthLocs[2];
	select {@{conf[@2]}}

	# BLOCK 7: ~4 sec
for (i=3; i <=~configCount; i++)
	{
		# For each configuration >2, get fill-in atoms atomsNotRepIn[N]
		getNotRep(i); # populates atomsNotRepIn[N]
		print atomsNotRepIn[i].size
	}
	if (~configCount >= 4) {atomsNotRepIn[4] |= atomsNotRepIn[3];}
	if (~configCount >= 5) {atomsNotRepIn[5] |= atomsNotRepIn[4];}
	if (~configCount >= 6) {atomsNotRepIn[6] |= atomsNotRepIn[5];}
	for (i=3; i <=~configCount; i++)
	{
		conf[i] = {%} or locsPerAtomBitset1 or atomNthLocs[i] or atomsNotRepIn[i];
		select {@{conf[@i]}}
	}
message DONE------------------------