From 546ca80d015a6eb7e5a3aac522bdca4a532e536f Mon Sep 17 00:00:00 2001
From: chr <chr@6221c96e-593b-4ce1-a500-64c4038a1943>
Date: Sat, 25 Apr 2015 12:58:39 +0000
Subject: [PATCH] L-shape calculation added.

git-svn-id: https://codeforge.lbl.gov/anonscm/voro@581 6221c96e-593b-4ce1-a500-64c4038a1943
---
 trunk/examples/extra/Makefile        |  5 ++-
 trunk/examples/extra/l_shape.cc      | 69 ++++++++++++++++++++++++++++++++++++
 trunk/examples/timing/timing_test.cc |  2 +-
 trunk/examples/timing/timing_test.pl |  4 +--
 trunk/src/cell.cc                    | 27 +++++++-------
 5 files changed, 90 insertions(+), 17 deletions(-)
 create mode 100644 trunk/examples/extra/l_shape.cc

diff --git a/trunk/examples/extra/Makefile b/trunk/examples/extra/Makefile
index 89e6517..529a71c 100644
--- a/trunk/examples/extra/Makefile
+++ b/trunk/examples/extra/Makefile
@@ -8,7 +8,7 @@
 include ../../config.mk
 
 # List of executables
-EXECUTABLES=box_cut cut_region superellipsoid irregular
+EXECUTABLES=box_cut cut_region superellipsoid irregular l_shape
 
 # Makefile rules
 all: $(EXECUTABLES)
@@ -25,6 +25,9 @@ superellipsoid: superellipsoid.cc
 irregular: irregular.cc
 	$(CXX) $(CFLAGS) $(E_INC) $(E_LIB) -o irregular irregular.cc -lvoro++
 
+l_shape: l_shape.cc
+	$(CXX) $(CFLAGS) $(E_INC) $(E_LIB) -o l_shape l_shape.cc -lvoro++
+
 finite_sys: finite_sys.cc
 	$(CXX) $(CFLAGS) $(E_INC) $(E_LIB) -o finite_sys finite_sys.cc -lvoro++
 
diff --git a/trunk/examples/extra/l_shape.cc b/trunk/examples/extra/l_shape.cc
new file mode 100644
index 0000000..69485a0
--- /dev/null
+++ b/trunk/examples/extra/l_shape.cc
@@ -0,0 +1,69 @@
+// Irregular packing example code
+//
+// Author   : Chris H. Rycroft (LBL / UC Berkeley)
+// Email    : chr@alum.mit.edu
+// Date     : August 30th 2011
+
+#include "voro++.hh"
+using namespace voro;
+
+// Set the number of particles that are going to be randomly introduced
+const int particles=30;
+
+// This function returns a random double between 0 and 1
+double rnd() {return double(rand())/RAND_MAX;}
+
+// Create a wall class that, whenever called, will replace the Voronoi cell
+// with a prescribed shape, in this case a dodecahedron
+class wall_l_shape : public wall {
+	public:
+		wall_l_shape() {
+			v.init_l_shape();
+		};
+		bool point_inside(double x,double y,double z) {return true;}
+		bool cut_cell(voronoicell &c,double x,double y,double z) {
+
+			// Set the cell to be equal to the dodecahedron
+			c=v;
+			c.translate(-x,-y,-z);
+			c.big_tol=100;
+			return true;
+		}
+		bool cut_cell(voronoicell_neighbor &c,double x,double y,double z) {
+
+			// Set the cell to be equal to the dodecahedron
+			c=v;
+			c.translate(-x,-y,-z);
+			c.big_tol=100;
+			return true;
+		}
+	private:
+		voronoicell v;
+};
+
+int main() {
+	int i=0;
+	double x,y,z;
+
+	// Create a container with the geometry given above. This is bigger
+	// than the particle packing itself.
+	container con(-1,1,-1,1,-1,1,5,5,5,false,false,false,8);
+
+	// Create the L-shape wall class and add it to the container
+	wall_l_shape(wls);
+	con.add_wall(wls);
+
+	// Import the irregular particle packing
+	while(i<particles) {
+		x=2*rnd()-1;
+		y=2*rnd()-1;
+		if(x<0&&y>0) continue;
+		z=2*rnd()-1;
+		con.put(i,x,y,z);
+		i++;
+	}
+
+	// Save the particles and Voronoi cells in POV-Ray format
+	con.draw_particles("l_shape_p.gnu");
+	con.draw_cells_gnuplot("l_shape_v.gnu");
+}
diff --git a/trunk/examples/timing/timing_test.cc b/trunk/examples/timing/timing_test.cc
index d889a24..f3dedd7 100644
--- a/trunk/examples/timing/timing_test.cc
+++ b/trunk/examples/timing/timing_test.cc
@@ -7,7 +7,7 @@
 #include <ctime>
 using namespace std;
 
-#include "voro++.hh"
+#include "voro++.cc"
 using namespace voro;
 
 // Set up constants for the container geometry
diff --git a/trunk/examples/timing/timing_test.pl b/trunk/examples/timing/timing_test.pl
index f1ff487..85817d9 100644
--- a/trunk/examples/timing/timing_test.pl
+++ b/trunk/examples/timing/timing_test.pl
@@ -14,8 +14,8 @@ $opt="-O3";
 foreach $r (@range) {
 
 	# Compile the code with the current grid size
-	system "g++ $opt -I../../src -DNNN=$r -o timing_test "
-		."-L../../src timing_test.cc -lvoro++";
+	system "g++-mp-4.8 $opt -I../../src -DNNN=$r -o timing_test "
+		."-L../../src timing_test.cc";
 
 	# Carry out the trials for this grid size
 	$st=$stt=0;
diff --git a/trunk/src/cell.cc b/trunk/src/cell.cc
index f480912..2223626 100644
--- a/trunk/src/cell.cc
+++ b/trunk/src/cell.cc
@@ -112,7 +112,7 @@ void voronoicell_base::translate(double x,double y,double z) {
 	x*=2;y*=2;z*=2;
 	double *ptsp=pts;
 	while(ptsp<pts+(p<<2)) {
-		*(ptsp++)=x;*(ptsp++)=y;*(ptsp++)=z;ptsp++;
+		*(ptsp++)+=x;*(ptsp++)+=y;*ptsp+=z;ptsp+=2;
 	}
 }
 
@@ -320,18 +320,19 @@ void voronoicell_base::init_base(double xmin,double xmax,double ymin,double ymax
 void voronoicell::init_l_shape() {
 	for(int i=0;i<current_vertex_order;i++) mec[i]=0;up=0;
 	mec[3]=p=12;
-	*pts=-1;pts[1]=-1;pts[2]=-1;
-	pts[4]=1;pts[5]=-1;pts[6]=-1;
-	pts[8]=-1;pts[9]=0;pts[10]=-1;
-	pts[12]=0;pts[13]=0;pts[14]=-1;
-	pts[16]=0;pts[17]=1;pts[18]=-1;
-	pts[20]=1;pts[21]=1;pts[22]=-1;
-	pts[24]=-1;pts[25]=-1;pts[26]=1;
-	pts[28]=1;pts[29]=-1;pts[30]=1;
-	pts[32]=-1;pts[33]=0;pts[34]=1;
-	pts[36]=0;pts[37]=0;pts[38]=1;
-	pts[40]=0;pts[41]=1;pts[42]=1;
-	pts[44]=1;pts[45]=1;pts[46]=1;
+	const double j=0.5;
+	*pts=-2;pts[1]=-2;pts[2]=-2;
+	pts[4]=2;pts[5]=-2;pts[6]=-2;
+	pts[8]=-2;pts[9]=0;pts[10]=-2;
+	pts[12]=-j;pts[13]=j;pts[14]=-2;
+	pts[16]=0;pts[17]=2;pts[18]=-2;
+	pts[20]=2;pts[21]=2;pts[22]=-2;
+	pts[24]=-2;pts[25]=-2;pts[26]=2;
+	pts[28]=2;pts[29]=-2;pts[30]=2;
+	pts[32]=-2;pts[33]=0;pts[34]=2;
+	pts[36]=-j;pts[37]=j;pts[38]=2;
+	pts[40]=0;pts[41]=2;pts[42]=2;
+	pts[44]=2;pts[45]=2;pts[46]=2;
 	int *q=mep[3];
 	*q=1;q[1]=6;q[2]=2;q[6]=0;
 	q[7]=5;q[8]=7;q[9]=0;q[13]=1;
-- 
2.11.4.GIT