B }N_2@s`ddlmZddlTddlZddlmZmZddlm Z ddl m Z e j Z Gdd d e j ZdS) )print_function)*N)platformexit)path)thermocseZdZdZfddZd!ddZddZd d Zd d Zd dZ ddZ ddZ ddZ ddZ ddZddZddZddZdd ZZS)" saftvrmiez" Interface to SAFT-VR Mie csPtt|t|j|dd|_t|j|dd|_t|j|dd|_ t|j|dd|_ t|j|dd|_ t |j|dd|_ t |j|d d |_t |j|d d |_t |j|d d |_t |j|d d |_t |j|d d|_t |j|d d|_t |j|d d|_t |j|d d|_dS)z= Initialize cubic specific function pointers Zsaftvrmie_optionsZ enable_hsZ enable_a1Z enable_a2Z enable_a3Z enable_chain eoslibinitZinit_saftvrmieZsaftvrmie_containersZget_saftvrmie_pure_fluid_paramZset_saftvrmie_pure_fluid_paramZget_saftvrmie_eps_kijZset_saftvrmie_eps_kijZget_saftvrmie_sigma_lijZset_saftvrmie_sigma_lijZget_saftvrmie_lr_gammaijZset_saftvrmie_lr_gammaijN)superr __init__c_intin_dlltpget_export_name enable_hs_c enable_a1_c enable_a2_c enable_a3_cenable_chain_cgetattrs_eoslibinit_init_saftvrmie s_get_saftvrmie_pure_fluid_param s_set_saftvrmie_pure_fluid_param s_get_eps_kij s_set_eps_kijs_get_sigma_lijs_set_sigma_lijs_get_lr_gammaijs_set_lr_gammaij)self) __class__#../pycThermopack/pyctp/saftvrmie.pyr szsaftvrmie.__init__DefaultcCst|d}tt|}t|d}tt|}ttttg|j_d|j_|||||tt|dt|d|_ dS)zInitialize SAFT-VR Mie model in thermopack Args: comps (str): Comma separated list of component names parameter_reference (str, optional): Which parameters to use?. Defaults to "Default". asciiN ,) c_char_pencode c_len_typelenrargtypesrestypemaxsplitnc)r compsparameter_reference comp_string_ccomp_string_len ref_string_cref_string_lenr"r"r#init3s   zsaftvrmie.initcCs|rd|j_nd|j_dS)zModel control. Enable/disable hard-sphere term. Args: active (bool): Enable/disable hard-sphere dispersion term rrN)rvalue)r activer"r"r#model_control_hard_sphereLs z#saftvrmie.model_control_hard_spherecCs"|rd|j_ntdd|j_dS)zModel control. Enable/disable first dispersion term. Args: active (bool): Enable/disable first dispersion term rzerorN)rr8print)r r9r"r"r#model_control_a1Ws zsaftvrmie.model_control_a1cCs|rd|j_nd|j_dS)zModel control. Enable/disable second dispersion term. Args: active (bool): Enable/disable second dispersion term rrN)rr8)r r9r"r"r#model_control_a2cs zsaftvrmie.model_control_a2cCs|rd|j_nd|j_dS)zModel control. Enable/disable third dispersion term. Args: active (bool): Enable/disable third dispersion term rrN)rr8)r r9r"r"r#model_control_a3ns zsaftvrmie.model_control_a3cCs|rd|j_nd|j_dS)zvModel control. Enable/disable chain term. Args: active (bool): Enable/disable chain term rrN)rr8)r r9r"r"r#model_control_chainys zsaftvrmie.model_control_chaincCsZt|}t|}td}ttttttg|j_d|j_|t|t|t||jS)zGet binary well depth interaction parameter Args: c1 (int): Component one c2 (int): Component two Returns: kij (float): Well depth interaction parameter gN)r c_doublePOINTERrr,r-byrefr8)r c1c2c1_cc2_ckij_cr"r"r# get_eps_kijs   zsaftvrmie.get_eps_kijcCsXt|}t|}t|}ttttttg|j_d|j_|t|t|t|dS)zSet binary well depth interaction parameter Args: c1 (int): Component one c2 (int): Component two kij (float): Well depth interaction parameter N)r rArBrr,r-rC)r rDrEkijrFrGrHr"r"r# set_eps_kijs zsaftvrmie.set_eps_kijcCsZt|}t|}td}ttttttg|j_d|j_|t|t|t||jS)aGet the interaction parameter lij for the sigma combining rule (controlling non-additivity) Args: c1 (int): Component one c2 (int): Component two Returns: lij (float): Sigma interaction parameter gN)r rArBrr,r-rCr8)r rDrErFrGlij_cr"r"r# get_sigma_lijs   zsaftvrmie.get_sigma_lijcCsXt|}t|}t|}ttttttg|j_d|j_|t|t|t|dS)zSet the interaction parameter lij for the sigma combining rule (controlling non-additivity) Args: c1 (int): Component one c2 (int): Component two lij (float): Sigma interaction parameter N)r rArBrr,r-rC)r rDrElijrFrGrLr"r"r# set_sigma_lijs zsaftvrmie.set_sigma_lijcCsZt|}t|}td}ttttttg|j_d|j_|t|t|t||jS)zGet the interaction parameter gammaij for the lambda_r combining rule Args: c1 (int): Component one c2 (int): Component two Returns: gammaij (float): Repulsive exponent interaction parameter gN)r rArBrr,r-rCr8)r rDrErFrG gammaij_cr"r"r#get_lr_gammaijs   zsaftvrmie.get_lr_gammaijcCsXt|}t|}t|}ttttttg|j_d|j_|t|t|t|dS)zSet the interaction parameter gammaij for the lambda_r combining rule Args: c1 (int): Component one c2 (int): Component two gammaij (float): Repulsive exponent interaction parameter N)r rArBrr,r-rC)r rDrEZgammaijrFrGrPr"r"r#set_lr_gammaijs zsaftvrmie.set_lr_gammaijc Cst|}td}td}td}td}td}ttttttttttttg|j_d|j_|t|t|t|t|t|t||j|j|j|j|jfS)aSet pure fluid parameters Args: ic (int): Component index Returns; m (float): Mean number of segments. sigma (float): Temperature-independent segment diameter [m]. eps_div_k (float): Well depth divided by Boltzmann's const. [K]. lambda_a (float): Attractive exponent of the Mie potential lambda_r (float): Repulsive exponent of the Mie potential gN)r rArBrr,r-rCr8)r icic_cm_csigma_ceps_c lambda_a_c lambda_r_cr"r"r#get_pure_fluid_param s(   zsaftvrmie.get_pure_fluid_paramc Cst|}t|}t|} t|} t|} t|} ttttttttttttg|j_d|j_|t|t|t| t| t| t| dS)aSet pure fluid parameters Args: ic (int): Component index m (float): Mean number of segments. sigma (float): Temperature-independent segment diameter [m]. eps_div_k (float): Well depth divided by Boltzmann's const. [K]. lambda_a (float): Attractive exponent of the Mie potential lambda_r (float): Repulsive exponent of the Mie potential N)r rArBrr,r-rC) r rSmsigmaZ eps_div_kZlambda_aZlambda_rrTrUrVrWrXrYr"r"r#set_pure_fluid_param/s&  zsaftvrmie.set_pure_fluid_param)r$)__name__ __module__ __qualname____doc__r r7r:r=r>r?r@rIrKrMrOrQrRrZr] __classcell__r"r")r!r#r s        $r ) __future__rctypesnumpynpsysrrosrrr* thermopackr r"r"r"r#s