1 files changed, 48 insertions, 0 deletions
diff --git a/interacticle/visual/links.py b/interacticle/visual/links.py
new file mode 100644
index 0000000..52e9d52
--- /dev/null
+++ b/interacticle/visual/links.py
@@ -0,0 +1,48 @@
+import numpy as np
+
+import pyopencl as cl
+mf = cl.mem_flags
+
+import OpenGL.GL as gl
+from OpenGL.arrays import vbo
+
+class MolecularLinks:
+    def __init__(self, simulation):
+        self.simulation = simulation
+
+    def setup(self):
+        if self.simulation.n_bonds > 0:
+            self.np_view_link_indices = np.zeros((int(np.sum(self.simulation.np_bond_count)*2),1), dtype=np.uint32)
+            curr = 0
+            for i in range(self.simulation.n_atoms):
+                for j in range(int(self.simulation.np_bond_count[i])):
+                    self.np_view_link_indices[2*curr+0] = i
+                    self.np_view_link_indices[2*curr+1] = self.simulation.np_bond_indices[self.simulation.max_bonds*i+j][0]
+                    curr = curr + 1
+
+            self.cl_view_link_indices = cl.Buffer(self.simulation.context, mf.COPY_HOST_PTR, hostbuf=self.np_view_link_indices)
+            self.np_view_link_pos = np.zeros((self.np_view_link_indices.shape[0],4), dtype=np.float32)
+            self.gl_view_link_pos = vbo.VBO(data=self.np_view_link_pos, usage=gl.GL_DYNAMIC_DRAW, target=gl.GL_ARRAY_BUFFER)
+            self.gl_view_link_pos.bind()
+            self.cl_view_link_pos = cl.GLBuffer(self.simulation.context, mf.READ_WRITE, int(self.gl_view_link_pos))
+
+    def update(self):
+        pass
+
+    def shutdown(self):
+        pass
+
+    def display_decoration(self, uniform):
+        if self.simulation.n_bonds > 0:
+            cl.enqueue_acquire_gl_objects(self.simulation.queue, [self.cl_view_link_pos])
+            self.simulation.program.update_view_links(self.simulation.queue, (int(self.np_view_link_indices.shape[0] / 2),), None, self.simulation.cl_position, self.cl_view_link_indices, self.cl_view_link_pos).wait()
+        
+            gl.glEnableClientState(gl.GL_VERTEX_ARRAY)
+            gl.glUniform3fv(uniform['color'], 1, [0.5,0.5,0.5])
+            self.gl_view_link_pos.bind()
+            gl.glVertexPointer(4, gl.GL_FLOAT, 0, self.simulation.gl_position)
+            gl.glDrawArrays(gl.GL_LINES, 0, self.np_view_link_indices.shape[0])
+            gl.glDisableClientState(gl.GL_VERTEX_ARRAY)
+
+    def display_window(self, uniform):
+        pass