a 7b#6@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 csFtt|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_interfaceZmodel_control_hsmodel_control_a1model_control_a2model_control_a3model_control_chainZ 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__getattrtpZget_export_name s_enable_hs s_enable_a1 s_enable_a2 s_enable_a3s_enable_chains_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___/Users/vegardjervell/Documents/master/model/venv/lib/python3.9/site-packages/pyctp/saftvrmie.pyrsV             zsaftvrmie.__init__DefaultcCs|t|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 ,) activatec_char_pencode c_len_typelenrargtypesrestypemaxsplitZnc)r compsZparameter_referenceZ comp_string_cZcomp_string_lenZ ref_string_cZref_string_lenr#r#r$initCs"  zsaftvrmie.initcCs@|t|rdnd}ttg|j_d|j_|t|dS)zModel control. Enable/disable hard-sphere term. Args: active (bool): Enable/disable hard-sphere dispersion term rrN)r)c_intPOINTERrr.r/byrefr activeZactive_cr#r#r$model_control_hard_sphere]s z#saftvrmie.model_control_hard_spherecCs@|t|rdnd}ttg|j_d|j_|t|dS)zModel control. Enable/disable first dispersion term. Args: active (bool): Enable/disable first dispersion term rrN)r)r4r5rr.r/r6r7r#r#r$r is zsaftvrmie.model_control_a1cCs@|t|rdnd}ttg|j_d|j_|t|dS)zModel control. Enable/disable second dispersion term. Args: active (bool): Enable/disable second dispersion term rrN)r)r4r5rr.r/r6r7r#r#r$r us zsaftvrmie.model_control_a2cCs@|t|rdnd}ttg|j_d|j_|t|dS)zModel control. Enable/disable third dispersion term. Args: active (bool): Enable/disable third dispersion term rrN)r)r4r5rr.r/r6r7r#r#r$r s zsaftvrmie.model_control_a3cCs@|t|rdnd}ttg|j_d|j_|t|dS)zvModel control. Enable/disable chain term. Args: active (bool): Enable/disable chain term rrN)r)r4r5rr.r/r6r7r#r#r$r s zsaftvrmie.model_control_chaincCsb|t|}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 N) r)r4c_doubler5rr.r/r6value)r c1c2c1_cc2_ckij_cr#r#r$ get_eps_kijs  zsaftvrmie.get_eps_kijcCs`|t|}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)r4r;r5rr.r/r6)r r=r>Zkijr?r@rAr#r#r$ set_eps_kijs zsaftvrmie.set_eps_kijcCsb|t|}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 r:N) r)r4r;r5rr.r/r6r<)r r=r>r?r@lij_cr#r#r$ get_sigma_lijs  zsaftvrmie.get_sigma_lijcCs`|t|}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)r4r;r5rr.r/r6)r r=r>Zlijr?r@rDr#r#r$ set_sigma_lijs zsaftvrmie.set_sigma_lijcCsb|t|}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 r:N) r)r4r;r5rr.r/r6r<)r r=r>r?r@ gammaij_cr#r#r$get_lr_gammaijs  zsaftvrmie.get_lr_gammaijcCs`|t|}t|}t|}ttttttg|j_d|j_|t|t|t|dS)zSet the interaction parameter gammaij for the lambda_r combining rule Args: c1 (int): Component one c2 (int): Component two gammaij (float): Repulsive exponent interaction parameter N)r)r4r;r5rr.r/r6)r r=r>Zgammaijr?r@rGr#r#r$set_lr_gammaijs zsaftvrmie.set_lr_gammaijc Cs|t|}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 r:N) r)r4r;r5rr.r/r6r<)r icic_cm_csigma_ceps_c lambda_a_c lambda_r_cr#r#r$get_pure_fluid_param&s.  zsaftvrmie.get_pure_fluid_paramc Cs|t|}t|}t|} t|} t|} t|} ttttttttttttg|j_d|j_|t|t|t| t| t| t| dS)aSet pure fluid parameters Args: ic (int): Component index m (float): Mean number of segments. sigma (float): Temperature-independent segment diameter [m]. eps_div_k (float): Well depth divided by Boltzmann's const. [K]. lambda_a (float): Attractive exponent of the Mie potential lambda_r (float): Repulsive exponent of the Mie potential N)r)r4r;r5rr.r/r6) r rJmsigmaZ eps_div_kZlambda_aZlambda_rrKrLrMrNrOrPr#r#r$set_pure_fluid_paramKs,  zsaftvrmie.set_pure_fluid_param)r%)__name__ __module__ __qualname____doc__rr3r9r r r r rBrCrErFrHrIrQrT __classcell__r#r#r!r$r s  -      %r ) __future__rctypesZnumpynpsysrrosrrr,Z thermopackr r#r#r#r$s