U L_X@sddlZddlmZddlmZddlmZddl Z ddl Z ddl Z ddl mZGdddZGdddZdd ZGd d d ZdS) N)Axes3D)CloughTocher2DInterpolatorc@sfeZdZddgdfddZdddZddd Zdd d Zd d ZddZddZ ddZ dddZ dS)Alpha_T0_empirical?wheightscCs|d\|_|_||_ttjt d}|j|j |d|jkdkrNnH|j|j |d|jkdkr|j|j|_|_d|_ nt d|d|j |d|jk|d|jk@|_ t|j d|_t|j d |_t|j d |_t|jt|jt|jt|jf|_t|j|_t|jt|j|_t|jt|j|_|jd krld |_|jd kr~d |_|d |_|d kr|j|_n0|dkr|j|_n|dkr|j|_nt ddS)a Callable object, composition and components are set upon initialization __call__(temp): returns alpha_T0 for component 1 at given composition and temperature, approximated from experimental data :param comps: 'comp1,comp2' :param mole_fracs: mole fractions of components :param method: 'wheights' (default), 'ct': CloughTocher, 'plane': linear interpolation ,z/alpha_t0.xlsxComp1Comp2Tz Components z not found in database.c_avgT_avg Alpha_T_0rrZplanectz1method must be either 'wheights', 'plane' or 'ct'N) splitcomp1comp2compspd read_excelospathdirname__file__locflip ValueErrordatanparraytolistc_listT_list alpha_listminmax cT_rangeslen num_pointsc_spanT_spancget_alpha_T0_wheights get_alpha_T0get_alpha_T0_planeget_alpha_T0_CloughTocher)selfr mole_fracsmethoddfr3[/home/ubuntu/Home/Documents/7_semester/irrev_prosjekt_renskriv/models/alpha_t0_empirical.py__init__ s: $&          zAlpha_T0_empirical.__init__Fc s||_|jd}tt||jdk||jdk||jdk||jdkgrtdtt |ddtt |ddtt |jddd tt |jddd tt |jddd tt |jddd |j ||j d|j ||j d}td d tt|dddD}tdd |D}d|d<t|j |dg}t|j |dg}d} |||||sx| |jkrx|j || } |j || } || |j | |j ||j ||j ||j ||j } | |jdkrB| sB| d7} |j || } |j || } || | ||||rd} qBq| rPd|| <|j ||}|j ||}| d7} qt|j||} |||tfdd ttDfdd ttD}t| |}t||d||d| |dt| }|r&||||| |||||dks<| |jkrtdtt |ddtt |dd|jdtt |dd t|| gS)a :param comps (str) : comp1,comp2 following Thermopack convention :param c (float) : Volumetric concentration at which to get kinetic_gas :param T (float) : Temperature (K) at which to get kinetic_gas :param plot (bool or '2d' or '3d') : display fitted data :return float : kinetic_gas at the specified conditions, approximated from experimental data using the custom weighting scheme drr  c =  T =  is outside range c : (, ), T : )cSsg|] \}}|qSr3r3.0i_r3r3r4 Wsz.cSs|dSNr r3pairr3r3r4Wz:Alpha_T0_empirical.get_alpha_T0_wheights..keycSsg|]}dqSFr3r@rAr3r3r4rCXsTcs4g|],}td|t|ddqSrDrprodrLrr3r4rCzscs8g|]0}td|t|ddqSrDrMrLrPtotr3r4rC{si Alpha_T0 at c =  for z# may be a bad approximation (R^2 = )plotr*anyrrr%warningswarnstrroundr r(r!r)sorted enumerate check_insider' check_validr"sumranger&plot_fitr)r/TrUr*distdist_ind dist_ind_maskclose_cclose_TrAnew_cnew_T valid_point close_alphar fit_alphaR2r3rQr4r+@s  >*($   0& z(Alpha_T0_empirical.get_alpha_T0_wheightsc Cs||_|jd}tt||jdk||jdk||jdk||jdkgrtdtt |ddtt |ddtt |jddd tt |jddd tt |jddd tt |jddd t t|j |j g |j||g}t|| gS) a :param comps (str) : comp1,comp2 following Thermopack convention :param c (float) : Volumetric concentration at which to get kinetic_gas :param T (float) : Temperature (K) at which to get kinetic_gas :param plot (bool or '2d' or '3d') : display fitted data :return float : kinetic_gas at the specified conditions, approximated from experimental data by CloughTocher-interpolation r6rr r7r8r9r:r;r<r=r>)rUr*rVrrr%rWrXrYrZinterpolr r! 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