NOMADVR for HTC Vive:

Allow multiple config files
Selection of atoms
Indication of atom # and atom-controller distance

NOMADVRLib/ConfigFile.cpp

@@ -25,10 +25,9 @@
 #include "eprintf.h"
 #include "polyhedron.h"
 
-const char * PATH;
-const char * SCREENSHOT;
+char * PATH;
+char * SCREENSHOT;
 int ISOS;
-int TIMESTEPS;
 float **isocolours; // [ISOS][4];
 const char **plyfiles;
 float **translations;
@@ -113,7 +112,7 @@ const char * loadConfigFileErrors[] =
 };
 
 void updateTIMESTEPS (int timesteps)
-{
+{ 
 if (TIMESTEPS==0)
 	TIMESTEPS=timesteps;
 else
@@ -164,16 +163,64 @@ while (*file!='\0') {
 }
 }
 
+void cleanConfig()
+{
+	for (int i = 0; i < ISOS; i++) {
+		delete[] isocolours[i];
+		delete[] translations[i];
+	}
+	delete[] isocolours;
+	isocolours=nullptr;
+	delete[] translations;
+	translations=nullptr;
+	if (plyfiles) {
+		for (int i=0;i<ISOS;i++)
+			free ((void*)(plyfiles[i])); //strdup
+		delete[] plyfiles;
+	}
+	plyfiles=nullptr;
+	free(PATH);
+	PATH=nullptr;
+	atomtrajectoryrestarts.clear();
+	free(SCREENSHOT);
+	SCREENSHOT=nullptr;
+
+	if (markers) {
+		for (int i=0;i<TIMESTEPS;i++) {
+			delete[] markers[i];
+			delete[] markercolours[i];
+		}
+		delete[] markers;
+		delete[] markercolours;
+		markers=nullptr;
+		markercolours=nullptr;
+	}
+	for (int i=0;i<info.size();i++) {
+		free(info[i].filename);
+	}
+	info.clear();
+
+	if (numAtoms) {
+		for (int i=0;i<getAtomTimesteps();i++) {
+			delete[] atoms[i];
+		}
+		delete[] atoms;
+		delete[] numAtoms;
+		numAtoms=nullptr;
+		atoms=nullptr;
+	}
+}
+
 void initState()
 {
 	BACKGROUND[0] = 0.95f;
 	BACKGROUND[1] = 0.95f;
 	BACKGROUND[2] = 0.95f;
-	SCREENSHOT="C:\\temp\\frame";
+	SCREENSHOT=strdup("C:\\temp\\frame");
 	ISOS = 0;
 	TIMESTEPS=0;
 	PATH=strdup("");
-	numAtoms=0;
+	numAtoms=nullptr;
 	atomScaling=1;
 	clonedAtoms=0;
 	fixedAtoms=false;
@@ -357,6 +404,7 @@ int loadConfigFile(const char * f)
 			r=readString(F, s);
 			if (r!=0)
 				return -14;
+			free (SCREENSHOT);
 			SCREENSHOT = strdup(s);
 		}
 		else if (!strcmp(s, "xyzfile")||!strcmp(s, "atomfile")) {

NOMADVRLib/ConfigFile.h

@@ -21,10 +21,9 @@
 #include "polyhedron.h"
 #include "ConfigFileAtoms.h"
 
-extern const char * PATH;
-extern const char * SCREENSHOT;
+extern char * PATH;
+extern char * SCREENSHOT;
 extern int ISOS;
-extern int TIMESTEPS;
 extern float **isocolours; // [ISOS][4];
 extern const char **plyfiles;
 extern float **translations;
@@ -81,13 +80,14 @@ extern float ** markercolours;
 
 extern const char * loadConfigFileErrors[];
 
+void cleanConfig();
 int loadConfigFile(const char * f);
 
 struct information {
 	float pos[3];
 	float size;
 	int atom; //-1=do not draw line
-	const char* filename;
+	char* filename;
 	GLuint tex;
 };
 

NOMADVRLib/atoms.cpp

@@ -44,10 +44,19 @@ const char * TMPDIR;//filled by main
 
 bool inv_abc_init=false;
 float inv_abc[3][3];
+int TIMESTEPS;
 
 std::vector<const char*> extraAtomNames;
 std::vector<float*> extraAtomData;
 
+int getAtomTimesteps() 
+{
+	if (fixedAtoms)
+		return 1;
+	else
+		return TIMESTEPS;
+}
+
 const char * const atomNames[] =
 
 {
@@ -208,6 +217,8 @@ do {
 } while (c != EOF && c != '\n');
 }
 
+
+
 int findAtom(const char *const s)
 {
 	//discard number at end
@@ -252,6 +263,17 @@ const char * readAtomsXYZErrors[] = {
 	"Corrupt xyz file" //-4
 };
 
+void cleanAtoms (int **numatoms, int timesteps, float ***pos)
+{
+	for (int i=0;i<timesteps;i++) {
+		delete[] ((*pos)[i]);
+	}
+	delete[] (*numatoms);
+	*numatoms=nullptr;
+	delete[] (*pos);
+	*pos=nullptr;
+}
+
 int readAtomsXYZ(const char *const file, int **numatoms, int *timesteps, float ***pos) 
 {
 	int mynumatoms;

NOMADVRLib/atoms.hpp

@@ -31,6 +31,8 @@ const int atomsInPeriodicTable=118;
 
 extern const char * TMPDIR;
 
+int getAtomTimesteps();
+void cleanAtoms (int **numatoms, int timesteps, float ***pos);
 int readAtomsXYZ(const char *const file, int **numatoms, int *timesteps, float ***pos);
 int readAtomsCube(const char *const file, int **numatoms, int *timesteps, float ***pos);
 int readAtomsJson (const char *const file, int **numatoms, int *timesteps, float ***pos, float abc[3][3],  std::vector<float>** clonedAtoms, const char *const token=0);
@@ -66,4 +68,6 @@ extern const char * const atomNames[];
 extern std::vector<const char*> extraAtomNames;
 extern std::vector<float*> extraAtomData;
 
+extern int TIMESTEPS;
+
 #endif //__ATOMS_H

NOMADVRLib/atomsGL.cpp

@@ -28,14 +28,6 @@
 #include "polyhedron.h"
 #include "Grid.h"
 
-int getAtomTimesteps() 
-{
-	if (fixedAtoms)
-		return 1;
-	else
-		return TIMESTEPS;
-}
-
 GLenum atomTexture(GLuint t)
 {
 	GLenum e;
@@ -230,6 +222,26 @@ if (!solid) {
 	return e;
 } //SetupAtomsNoTess
 
+void CleanAtoms (GLuint **AtomVAO /*[4]*/, GLuint **AtomVertBuffer /*[3]*/, GLuint *BondIndices)
+{
+	if (!numAtoms)
+		return;
+
+	glDeleteVertexArrays(4, *AtomVAO);
+	glDeleteBuffers(3, *AtomVertBuffer);
+	glDeleteBuffers(1, BondIndices);
+
+	delete[] (*AtomVAO);
+	delete[] (*AtomVertBuffer);
+	*AtomVAO=nullptr;
+	*AtomVertBuffer=nullptr;
+
+
+	if (numBonds)
+		delete[] numBonds;
+	numBonds=nullptr;
+	bonds.clear();
+}
 
 GLenum SetupAtoms(GLuint **AtomVAO /*[4]*/, GLuint **AtomVertBuffer /*[3]*/, GLuint *BondIndices)
 {
@@ -245,7 +257,7 @@ GLenum SetupAtoms(GLuint **AtomVAO /*[4]*/, GLuint **AtomVertBuffer /*[3]*/, GLu
 	for (int i=0;i<getAtomTimesteps() ;i++) {
 		totalatoms += numAtoms[i];
 	}
-	eprintf("SetupAtoms: totalatoms=%d", totalatoms);
+	//eprintf("SetupAtoms: totalatoms=%d", totalatoms);
 
 	*AtomVAO = new GLuint[4]; //atoms, cloned atoms, bonds, trajectories
 	*AtomVertBuffer = new GLuint[3]; //atoms, cloned atoms, trajectories
@@ -437,6 +449,13 @@ GLenum SetupAtoms(GLuint **AtomVAO /*[4]*/, GLuint **AtomVertBuffer /*[3]*/, GLu
 	return e;
 }
 
+void CleanInfoCube  (GLuint *VAO, GLuint *VertBuffer, GLuint *IndexBuffer)
+{
+	glDeleteVertexArrays(1, VAO);
+	glDeleteBuffers(1, VertBuffer);
+	glDeleteBuffers(1, IndexBuffer);
+}
+
 GLenum SetupInfoCube (GLuint *VAO, GLuint *VertBuffer, GLuint *IndexBuffer)
 {
 	glGenVertexArrays(1, VAO);
@@ -606,6 +625,12 @@ GLenum SetupMarkerNoTess(GLuint *MarkerVAO, GLuint *MarkerVertBuffer, GLuint *Ma
 	return e;
 }
 
+void CleanMarker (GLuint *MarkerVAO, GLuint *MarkerVertBuffer)
+{
+	glDeleteVertexArrays(1, MarkerVAO);
+	glDeleteBuffers(1, MarkerVertBuffer);
+}
+
 GLenum SetupMarker(GLuint *MarkerVAO, GLuint *MarkerVertBuffer)
 {//requires tesselation
 	if (!markers)
@@ -647,6 +672,13 @@ GLenum SetupMarker(GLuint *MarkerVAO, GLuint *MarkerVertBuffer)
 	return glGetError();
 }
 
+void CleanUnitCell (GLuint *UnitCellVAO, GLuint *UnitCellVertBuffer, GLuint *UnitCellIndexBuffer)
+{
+	glDeleteVertexArrays(1, UnitCellVAO);
+	glDeleteBuffers(1, UnitCellVertBuffer);
+	glDeleteBuffers(1, UnitCellIndexBuffer);
+}
+
 GLenum SetupUnitCell(GLuint *UnitCellVAO, GLuint *UnitCellVertBuffer, GLuint *UnitCellIndexBuffer)
 {
 	//add here both unit cell and supercell

NOMADVRLib/atomsGL.h

@@ -28,10 +28,14 @@
 
 GLenum atomTexture(GLuint t);
 GLenum SetupAtoms(GLuint **AtomVAO, GLuint **AtomVertBuffer, GLuint *BondIndices);
+void CleanAtoms (GLuint **AtomVAO /*[4]*/, GLuint **AtomVertBuffer /*[3]*/, GLuint *BondIndices);
 GLenum SetupAtomsNoTess (GLuint **AtomVAO, GLuint **AtomVertBuffer, GLuint **AtomIndexBuffer);
+void CleanUnitCell (GLuint *UnitCellVAO, GLuint *UnitCellVertBuffer, GLuint *UnitCellIndexBuffer);
 GLenum SetupUnitCell(GLuint *UnitCellVAO, GLuint *UnitCellVertBuffer, GLuint *UnitCellIndexBuffer);
+void CleanMarker (GLuint *MarkerVAO, GLuint *MarkerVertBuffer);
 GLenum SetupMarker(GLuint *MarkerVAO, GLuint *MarkerVertBuffer);
 GLenum SetupMarkerNoTess(GLuint *MarkerVAO, GLuint *MarkerVertBuffer, GLuint *MarkerIndexBuffer);
+void CleanInfoCube  (GLuint *VAO, GLuint *VertBuffer, GLuint *IndexBuffer);
 GLenum SetupInfoCube (GLuint *VAO, GLuint *VertBuffer, GLuint *IndexBuffer);
 
 bool PrepareUnitCellAtomShader (GLuint *AtomP, GLuint *cellP, GLuint *MarkerP, 
@@ -44,7 +48,6 @@ bool PrepareMarkerShader (GLuint *MP, GLint *MMatrixLocation);
 
 void GetDisplacement(int p[3], float f[3]);
 
-int getAtomTimesteps();
 inline int getTotalAtomsInTexture()
 {
 	return atomsInPeriodicTable+extraAtomNames.size();

OpenVR/README.md

 This repository contains the demos for HTC vive using openvr version 0.9.19
 https://github.com/ValveSoftware/openvr
 
-Clone that repository and add the content of this one inside the samples directory.
+Clone that repository and add the content of this one inside the samples 
+directory.
+After compilation, copy ..\textures\digits_64x7_l_blank.png to the exe's 
+location.
 
 List of directories
 TimestepData: 

textures/CONTRIBUTORS

+digits_64x7_l_blank.png:
+Copyright 2018 Matthias Albert
+Copyright 2018 Ruben Jesus Garcia-Hernandez
+Licensed under the Apache License, Version 2.0
\ No newline at end of file