Python calculate_net_fluxes示例

示例#1

文件： test_tpt.py 项目： lilipeng/msmbuilder

 def test_flux(self):
     
     flux = tpt.calculate_fluxes(self.sources, self.sinks, self.tprob)
     flux_ref = io.loadh(tpt_get("flux.h5"), 'Data')
     npt.assert_array_almost_equal(flux.toarray(), flux_ref)
     
     net_flux = tpt.calculate_net_fluxes(self.sources, self.sinks, self.tprob)
     net_flux_ref = io.loadh(tpt_get("net_flux.h5"), 'Data')
     npt.assert_array_almost_equal(net_flux.toarray(), net_flux_ref)

示例#2

 def test_flux(self):
     
     flux = tpt.calculate_fluxes(self.sources, self.sinks, self.tprob)
     flux_ref = io.loadh(os.path.join(self.tpt_ref_dir,"flux.h5"), 'Data')
     npt.assert_array_almost_equal(flux.toarray(), flux_ref)
     
     net_flux = tpt.calculate_net_fluxes(self.sources, self.sinks, self.tprob)
     net_flux_ref = io.loadh(os.path.join(self.tpt_ref_dir,"net_flux.h5"), 'Data')
     npt.assert_array_almost_equal(net_flux.toarray(), net_flux_ref)

示例#3

文件： CalculateTPT.py 项目： baxa/msmbuilder

def run(TC, Uv, Fv):

    # Get committors and flux
    logger.info("Getting committors and flux...")

    Fc = calculate_committors(Uv, Fv, TC)
    logger.info("Calculated forward committors.")
    
    NFlux = calculate_net_fluxes(Uv, Fv, TC)
    logger.info("Calculated net flux.")
    
    return Fc, NFlux

示例#4

文件： DoTPT.py 项目： jimsnyderjr/msmbuilder

def run(TC, Uv, Fv):

    # Get committors and flux
    logger.info("Getting committors and flux...")

    Fc = calculate_committors(Uv, Fv, TC)
    logger.info("Calculated forward committors.")

    NFlux = calculate_net_fluxes(Uv, Fv, TC)
    logger.info("Calculated net flux.")

    return Fc, NFlux