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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
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