a 7bC;@s`ddlmZddlTddlZddlmZmZddlm Z ddl m Z e j Z Gdd d e j ZdS) )print_function)*N)platformexit)path)thermocs|eZdZdZfddZd dd Zd d Zd d ZddZddZ ddZ ddZ ddZ ddZ ddZd!ddZZS)"cubicz Interface to cubic cstt|t|j|dd|_t|j|dd|_t|j|dd|_t|j|dd|_ t|j|dd|_ t|j|dd|_ t|j|dd |_ t|j|dd |_ t|j|dd |_d S) z= Initialize cubic specific function pointers Z eoslibinitZ init_cubicZthermopack_getkijZthermopack_setkijandjiZthermopack_gethvparamZthermopack_sethvparamZthermopack_getwsparamZthermopack_setwsparamZ&thermopack_get_volume_shift_parametersZ&thermopack_set_volume_shift_parametersN)superr __init__getattrtpZget_export_nameeoslibinit_init_cubic s_get_kij s_set_kijs_get_hv_params_set_hv_params_get_ws_params_set_ws_params_get_cis_set_ci)self __class__[/Users/vegardjervell/Documents/master/model/venv/lib/python3.9/site-packages/pyctp/cubic.pyr szcubic.__init__vdWClassicDefaultFc Cs|t|d}tt|}t|d} tt|} t|d} tt|} t|d} tt|}t|d}tt|}|rtd}ntd}ttttttttttttg |j_d|j_ || || | |t |||| | | t t| dt| d|_ dS)aInitialize cubic model in thermopack Args: comps (str): Comma separated list of component names eos (str): Equation of state (SRK, PR, ...) mixing (str, optional): Mixture model. Defaults to "vdW". alpha (str, optional): Alpha model. Defaults to "Classic". parameter_reference (str, optional): Which parameters to use?. Defaults to "Default". asciirrN ,)activatec_char_pencode c_len_typelenc_intPOINTERrargtypesrestypebyrefmaxsplitZnc)rcompsZeosZmixingalphaZparameter_referenceZ volume_shiftZeos_cZeos_lenZmixing_cZ mixing_lenZalpha_cZ alpha_lenZ comp_string_cZcomp_string_lenZ ref_string_cZref_string_lenZ vol_shift_crrrinit.sP         z cubic.initcCsb|t|}t|}td}ttttttg|j_d|j_|t|t|t||jS)zGet attractive energy interaction parameter Args: c1 (int): Component one c2 (int): Component two Returns: kij (float): i-j interaction parameter N) r#r(c_doubler)rr*r+r,value)rc1c2c1_cc2_ckij_crrrget_kijes  z cubic.get_kijcCs`|t|}t|}t|}ttttttg|j_d|j_|t|t|t|dS)zSet attractive energy interaction parameter Args: c1 (int): Component one c2 (int): Component two kij (float): i-j interaction parameter N)r#r(r3r)rr*r+r,)rr5r6Zkijr7r8r9rrrset_kijs z cubic.set_kijcCsdS)zGet co-volume interaction Args: c1 (int): Component one c2 (int): Component two Returns: lij (float): i-j interaction parameter g?r)rr5r6rrrget_lijs z cubic.get_lijcCs tddS)zSet co-volume interaction Args: c1 (int): Component one c2 (int): Component two lij ([type]): [description] z Setting lijN)print)rr5r6Zlijrrrset_lijsz cubic.set_lijc Cs |t|}t|}td}td}td}td}td} td} td} td} ttttttttttttttttttttg |j_d|j_|t|t|t|t|t|t|t| t| t| t|  |j|j|j|j| j| j| j| jfS)aGet Huron-Vidal parameters Args: c1 (int): Component one c2 (int): Component two Returns: alpha_ij (float): alpha param i-j alpha_ji (float): alpha param j-i a_ij (float): a param i-j a_ji (float): a param j-i b_ij (float): b param i-j b_ji (float): b param j-i c_ij (float): c param i-j c_ji (float): c param j-i r2N) r#r(r3r)rr*r+r,r4) rr5r6r7r8 alpha_ij_c alpha_ji_ca_ij_ca_ji_cb_ij_cb_ji_cc_ij_cc_ji_crrr get_hv_paramsF   zcubic.get_hv_paramc  Cs|t|} t|} t|} t|}t|}t|}t|}t|}t| }t| }ttttttttttttttttttttg |j_d|j_|t| t| t| t|t|t|t|t|t|t| dS)aSet Huron-Vidal parameters Args: c1 (int): Component one c2 (int): Component two alpha_ij (float): alpha param i-j alpha_ji (float): alpha param j-i a_ij (float): a param i-j a_ji (float): a param j-i b_ij (float): b param i-j b_ji (float): b param j-i c_ij (float): c param i-j c_ji (float): c param j-i N)r#r(r3r)rr*r+r,)rr5r6alpha_ijalpha_jiZa_ijZa_jiZb_ijZb_jiZc_ijZc_jir7r8r?r@rArBrCrDrErFrrr set_hv_paramsD  zcubic.set_hv_paramc Cs|t|}t|}td}td}td}td}td} td} ttttg|j_d|j_|t|t|t|t|t|t|t| t| |j|j|j|j| j| jfS)aGet Wong-Sandler parameters Args: c1 (int): Component one c2 (int): Component two Returns: alpha_ij (float): alpha param i-j alpha_ji (float): alpha param j-i k_ij (float): k param i-j k_ji (float): k param j-i tau_ij (float): tau param i-j tau_ji (float): tau param j-i r2N) r#r(r3r)rr*r+r,r4) rr5r6r7r8r?r@k_ij_ck_ji_ctau_ij_ctau_ji_crrr get_ws_params. zcubic.get_ws_paramc  Cs|t|} t|} t|} t|} t|} t|}t|}t|}ttttttttttttttttg|j_d|j_|t| t| t| t| t| t|t|t|dS)awSet Wong-Sandler parameters Args: c1 (int): Component one c2 (int): Component two alpha_ij (float): alpha param i-j alpha_ji (float): alpha param j-i k_ij (float): k param i-j k_ji (float): k param j-i tau_ij (float): tau param i-j tau_ji (float): tau param j-i N)r#r(r3r)rr*r+r,)rr5r6rHrIZk_ijZk_jiZtau_ijZtau_jir7r8r?r@rKrLrMrNrrr set_ws_param=s8   zcubic.set_ws_paramcCst|}td}td}td}td}ttttttttttg|j_d|j_|t|t|t|t|t||j|j|j|jfS)aGet volume correction parameters Args: cidx (int): Component index Returns: ciA (float): Volume shift param of component cidx (m3/mol) ciB (float): Volume shift param of component cidx (m3/mol/K) ciC (float): Volume shift param of component cidx (m3/mol/K^2) ci_type (int): Volume shift type (CONSTANT=1, LINEAR=2, QUADRATIC=3) r2rN)r(r3r)rr*r+r,r4)rcidxcidx_cciA_cciB_cciC_c ci_type_crrrget_ciis&  z cubic.get_cir2rc Cst|}t|}t|}t|} t|} ttttttttttg|j_d|j_|t|t|t|t| t| dS)aSet volume correction parametrs Args: cidx (int): Component index ciA (float): Volume shift param of component cidx (m3/mol) ciB (float): Volume shift param of component cidx (m3/mol/K) ciC (float): Volume shift param of component cidx (m3/mol/K^2) ci_type (int): Volume shift type (CONSTANT=1, LINEAR=2, QUADRATIC=3) N)r(r3r)rr*r+r,) rrQZciAZciBZciCZci_typerRrSrTrUrVrrrset_cis$  z cubic.set_ci)rrrF)r2r2r)__name__ __module__ __qualname____doc__r r1r:r;r<r>rGrJrOrPrWrX __classcell__rrrrr s  7  64',!r ) __future__rctypesZnumpynpsysrrosrr rr&Z thermopackr rrrrs