Honeycomb: ready for tests

scripts/Honeycomb.pm

@@ -3,9 +3,12 @@
 use strict;
 use warnings;
 use utf8;
+use Math::Trig;
 
 package Honeycomb;
 
+my $pi = Math::Trig::pi;
+
 sub setSiteCoordinates
 {
 	my ($tindx, $tindy, $ptsx, $ptsy, $ncmatrix, $lx, $ly, $isHash) = @_;
@@ -18,12 +21,34 @@ sub setSiteCoordinates
 	}
 }
 
+sub honeyGetQ
+{
+	my ($m1, $m2, $lx, $ly, $type) = @_;
+	my ($b1x, $b1y) = (2*$pi/(3*$lx), 0);
+	my ($b2x, $b2y) = (0, 2*$pi/(sqrt(3)*$ly));
+	if ($type eq "zigzag") {
+		($b1x, $b1y) = (2*$pi*sqrt(3)/(3*$lx), -1);
+		($b2x, $b2y) = (0, 4*$pi/(3*$ly));
+	}
+
+	return ($m1 * $b1x + $m2 * $b2x, $m1 * $b1y + $m2 * $b2y);
+}
+
+sub honeySpace
+{
+	my ($tindx, $tindy, $n, $hptr, $type) = @_;
+	my %isHash = %$hptr;
+	$isHash{"isArmchairX"} = ($type =~ /armchair/i);
+	$isHash{"isLeft"} = ($hptr->{"#options"} =~ /left/i);
+	my (@ptsx, @ptsy, $ncmatrix);
+	my $lx = $hptr->{"#Lx"};
+	my $ly = $hptr->{"#Ly"};
+	setSiteCoordinates($tindx, $tindy, \@ptsx, \@ptsy, $ncmatrix, $lx, $ly, \%isHash);
+}
+
 sub honeycombZigzagSetSiteCoordinates
 {
 	my ($tindx, $tindy, $ptsx, $ptsy, $ncmatrix, $lx, $ly, $isHash) = @_;
-
-	my $isPeriodicX = $isHash->{"isPeriodicX"};
-	my $isPeriodicY = $isHash->{"isPeriodicY"};
 	my $isLeft = $isHash->{"isLeft"};
 	my ($scalex, $scaley) = (2.0, 4.0/sqrt(3.0));
 
@@ -86,8 +111,6 @@ sub honeycombArmchairSetSiteCoordinates
 {
 	my ($tindx, $tindy, $ptsx, $ptsy, $ncmatrix, $lx, $ly, $isHash) = @_;
 
-	my $isPeriodicX = $isHash->{"isPeriodicX"};
-	my $isPeriodicY = $isHash->{"isPeriodicY"};
 	my $isLeft = $isHash->{"isLeft"};
 	my ($scalex, $scaley) = (1.0, 2.0/sqrt(3.0));
 

scripts/OmegaUtils.pm

@@ -3,6 +3,7 @@
 use strict;
 use warnings;
 use Math::Trig;
+use Honeycomb;
 
 package OmegaUtils;
 
@@ -504,16 +505,18 @@ sub fourierHoneycomb
 	my $ly = $hptr->{"#Ly"};
 	my ($M1, $M2) = (2*$lx, $ly);
 	my $n = scalar(@$v);
+	my (@tindx, @tindy);
+	Honeycomb::honeySpace(\@tindx, \@tindy, $n, $hptr, $type);
 	for (my $m1 = 0; $m1 < $M1; ++$m1) { # loop over momenta
 		for (my $m2 = 0; $m2 < $M2; ++$m2) { # loop over momenta
 			
 			# valid ($qx, $qy)
-			my ($qx, $qy) = honeyGetQ($m1, $m2, $lx, $ly, $type);
+			my ($qx, $qy) = Honeycomb::honeyGetQ($m1, $m2, $lx, $ly, $type);
 			my @sum = (0, 0);
 			for (my $i = 0; $i < $n; ++$i) { # loop over space
 				my $ptr = $v->[$i];
 				my @temp = @$ptr;
-				my @fourierFactor = honeyFourierFactor($i, $qx, $qy, $n, $hptr, $type);
+				my @fourierFactor = honeyFourierFactor($i, $qx, $qy, \@tindx, \@tindy, $hptr);
 				$sum[0] += $fourierFactor[0]*$temp[1] + $fourierFactor[1]*$temp[0]; # imaginary part
 				$sum[1] += $fourierFactor[0]*$temp[0] - $fourierFactor[1]*$temp[1]; # real part
 			}
@@ -525,11 +528,11 @@ sub fourierHoneycomb
 
 sub honeyFourierFactor
 {
-	my ($i, $qx, $qy, $n, $hptr, $type) = @_;
+	my ($i, $qx, $qy, $tindx, $tindy, $hptr) = @_;
 	# get (rx, ry) and (cx, cy)
 	my $indexForCenter = $hptr->{"centralSite"};
-	my ($rx, $ry) = honeySpaceFromIndex($i, $n, $hptr, $type);
-	my ($cx, $cy) = honeySpaceFromIndex($indexForCenter, $n, $hptr, $type);
+	my ($rx, $ry) = ($tindx->[$i], $tindy->[$i]);
+	my ($cx, $cy) = ($tindx->[$indexForCenter], $tindy->[$indexForCenter]);
 	my $arg = $qx*($rx - $cx) + $qy*($ry - $cy); 
 	return (cos($arg), sin($arg));
 }
@@ -585,25 +588,5 @@ sub getQ
 	return ($isPeriodic) ? 2.0*$pi*$m/$n : ($m + 1)*$pi/($n+1.0);
 }
 
-
-sub honeyGetQ
-{
-	my ($m1, $m2, $lx, $ly, $type) = @_;
-	my ($b1x, $b1y) = (2*$pi/(3*$lx), 0);
-	my ($b2x, $b2y) = (0, 2*$pi/(sqrt(3)*$ly));
-	if ($type eq "zigzag") {
-		($b1x, $b1y) = (2*$pi*sqrt(3)/(3*$lx), -1);
-		($b2x, $b2y) = (0, 4*$pi/(3*$ly));
-	}
-
-	return ($m1 * $b1x + $m2 * $b2x, $m1 * $b1y + $m2 * $b2y);
-}
-
-sub honeySpaceFromIndex
-{
-	my ($ind, $n, $hptr, $type) = @_;
-	
-}
-
 1;
 

scripts/procOmegas.pl

@@ -37,6 +37,7 @@ my $ChebyC = 0;
 my $ChebySign = 1;
 my $testoutputfile;
 my ($lx, $ly) = (0, 0);
+my $options = "";
 
 my $hptr = {"#OmegaBegin" => \$omega0,
             "#OmegaTotal" => \$omegaTotal,
@@ -44,6 +45,7 @@ my $hptr = {"#OmegaBegin" => \$omega0,
             "#OmegaOffset" => \$omegaOffset,
             "#Lx" => \$lx,
             "#Ly" => \$ly,
+	    "#options" => \$options,
             "GeometryKind" => \$geometryName,
             "GeometrySubKind" => \$geometrySubName,
             "LadderLeg" => \$geometryLeg,