#plot
import matplotlib.pyplot as plt
if __name__ == '__main__':
solver = ScipyAndersonOZsolver(port = 0)
solver.setPotentialByName('HardSphere')
volumeDensity = 0.5
solver.setVolumeDensity(volumeDensity)
solver.setConvergenceCriterion(1.0e-4*solver.getConvergenceCriterion())
#PY is default, so no explicit settings are needed in this regard
#so solver is in desired state.
solver.solve()
#Get reference structure factor
Sq_default = solver.getSq()
#now GCE limit version
solver.doEnforceGrandCanonicalZeroQlimit()
#solver is in desired state.
solver.solve()
#Get GCE structure factor
Sq_GCE = solver.getSq()
print "reference Sq(0)", Sq_default[0]
print "GCE Sq(0)", Sq_GCE[0]
print "Analytical Sq(0)", (1.0 - volumeDensity)**4/(1.0 + 2.0*volumeDensity)**2
#Even though the enforcement only affects one point in Fourier space,
#the impact will be global, hence we plot the functions. (But real analyis must be done numerically)
#Plot results
Delta_r = solver.getDelta_r()
from scipyAndersonOZsolver import ScipyAndersonOZsolver
#plot
import matplotlib.pyplot as plt
if __name__ == '__main__':
solver = ScipyAndersonOZsolver(port=0)
solver.setPotentialByName('HardSphere')
volumeDensity = 0.5
solver.setVolumeDensity(volumeDensity)
solver.setConvergenceCriterion(1.0e-4 * solver.getConvergenceCriterion())
#PY is default, so no explicit settings are needed in this regard
#so solver is in desired state.
solver.solve()
#Get reference structure factor
Sq_default = solver.getSq()
#now GCE limit version
solver.doEnforceGrandCanonicalZeroQlimit()
#solver is in desired state.
solver.solve()
#Get GCE structure factor
Sq_GCE = solver.getSq()
print "reference Sq(0)", Sq_default[0]
print "GCE Sq(0)", Sq_GCE[0]
print "Analytical Sq(0)", (1.0 - volumeDensity)**4 / (
1.0 + 2.0 * volumeDensity)**2
#Even though the enforcement only affects one point in Fourier space,
#the impact will be global, hence we plot the functions. (But real analyis must be done numerically)
#Plot results
