#!/usr/bin/env python # -*- coding: utf-8 -*- import numpy as np import pyopencl as cl from weights import GaussianDispersion from sasmodel import card, set_precision class GpuCoreShellCylinder(object): PARS = {'scale':1, 'radius':1, 'thickness':1, 'length':1, 'core_sld':1e-6, 'shell_sld':-1e-6, 'solvent_sld':0, 'background':0, 'axis_theta':0, 'axis_phi':0} PD_PARS = ['radius', 'length', 'thickness', 'axis_phi', 'axis_theta'] def __init__(self, qx, qy, dtype='float32'): #create context, queue, and build program ctx,_queue = card() src, qx, qy = set_precision(open('Kernel/NR_BessJ1.cpp').read()+"\n"+open('Kernel/Kernel-CoreShellCylinder.cpp').read(), qx, qy, dtype=dtype) self.prg = cl.Program(ctx, src).build() self.qx, self.qy = qx, qy #buffers mf = cl.mem_flags self.qx_b = cl.Buffer(ctx, mf.READ_ONLY | mf.COPY_HOST_PTR, hostbuf=self.qx) self.qy_b = cl.Buffer(ctx, mf.READ_ONLY | mf.COPY_HOST_PTR, hostbuf=self.qy) self.res_b = cl.Buffer(ctx, mf.WRITE_ONLY, qx.nbytes) self.res = np.empty_like(qx) def eval(self, pars): _ctx,queue = card() self.res[:] = 0 cl.enqueue_copy(queue, self.res_b, self.res) radius, length, thickness, axis_phi, axis_theta = [GaussianDispersion(int(pars[base+'_pd_n']), pars[base+'_pd'], pars[base+'_pd_nsigma']) for base in GpuCoreShellCylinder.PD_PARS] radius.value, radius.weight = radius.get_weights(pars['radius'], 0, 10000, True) length.value, length.weight = length.get_weights(pars['length'], 0, 10000, True) thickness.value, thickness.weight = thickness.get_weights(pars['thickness'], 0, 10000, True) axis_phi.value, axis_phi.weight = axis_phi.get_weights(pars['axis_phi'], -90, 180, False) axis_theta.value, axis_theta.weight = axis_theta.get_weights(pars['axis_theta'], -90, 180, False) sum, norm, norm_vol, vol = 0.0, 0.0, 0.0, 0.0 size = len(axis_theta.weight) real = np.float32 if self.qx.dtype == np.dtype('float32') else np.float64 for r in xrange(len(radius.weight)): for l in xrange(len(length.weight)): for th in xrange(len(thickness.weight)): vol += radius.weight[r]*length.weight[l]*thickness.weight[th]*pow(radius.value[r]+thickness.value[th],2)\ *(length.value[l]+2.0*thickness.value[th]) norm_vol += radius.weight[r]*length.weight[l]*thickness.weight[th] for at in xrange(len(axis_theta.weight)): for p in xrange(len(axis_phi.weight)): self.prg.CoreShellCylinderKernel(queue, self.qx.shape, None, self.qx_b, self.qy_b, self.res_b, real(axis_theta.value[at]), real(axis_phi.value[p]), real(thickness.value[th]), real(length.value[l]), real(radius.value[r]), real(pars['scale']), real(radius.weight[r]), real(length.weight[l]), real(thickness.weight[th]), real(axis_theta.weight[at]), real(axis_phi.weight[p]), real(pars['core_sld']), real(pars['shell_sld']), real(pars['solvent_sld']),np.uint32(size), np.uint32(self.qx.size)) norm += radius.weight[r]*length.weight[l]*thickness.weight[th]*axis_theta.weight[at]\ *axis_phi.weight[p] #if size>1: # norm /= math.asin(1.0) cl.enqueue_copy(queue, self.res, self.res_b) sum = self.res if vol != 0.0 and norm_vol != 0.0: sum *= norm_vol/vol return sum/norm + pars['background']