ó «™xTc@ s·ddlmZddlmZddlmZddlZddlmZddl m Z ddl Z ddl m Z dd d d „Zd „Zed kr³eejdƒndS(iÿÿÿÿ(tdivision(t option_parser(tflexN(tSorry(tscaling(t data_plotsg@iès Outlier plotc C s tj|gƒ} tj|gƒ} tj|gƒ} tj|gƒ}tj|gƒ}tj|gƒ}tj| d| | |||ƒ}|J|dIJ|dI| IJ|dI|IJ|dI|IJ|dI|IJ|dI|IJ|dI|IJ|dI|IJ|jƒd }tjd tj |j ƒd ƒƒ}|d IJ|d IJ|d IJ|dIJ|dI|IJ|dI|IJ|J|dIJ|dIJ|dI|j ƒd IJ|dI|j ƒd IJ|dIJ|dI|j ƒd |j ƒd IJ|dIJ|j ƒ}|dI|d IdIJ|||}|d krZd }n|||}||krš|d|}|d kršd }qšn||kr·|d|}ntjt| ƒƒ||t| ƒ|} tj|g| ƒ} tj|g| ƒ} tj|g| ƒ}tj|g| ƒ}tj|g| ƒ}tj| d| | |||ƒ}|j ƒ}tj|ƒ}|dks¤|d kr±|d}n| |t|ƒ}tj| |dƒtjdtj||ƒ}tj|ƒd}tj||kƒ}|j||ƒ}tjd| ddd d!d"| d#|d$d%d&d'|||fƒ}|jd#|d$d(ƒtj||ƒdS()Ns#Input parameters: s#Title : s#F-calc : s#F-obs : s#epsilon : s#alpha : s#beta : s#centric : igð?s4#A Gaussian approximation of the likelihood functions'#could be constructed as follows with: s7# exp[-(fobs-mode)**2/(2*stdev**2)] /(sqrt(2 pi) stdev)s#withs#mode = s#stdev = s,#The log likelihood values for the mode and s#observed values ares#Log[P(fobs)] : s#Log[P(mode)] : s#Their difference is:s#delta : t#s#mean f_obs : s (first moment)g@g>@gš™™™™™ñ?t plot_titletx_labeltFobsty_labelsP(Fobs)tx_dataty_dataty_legendsP(Fobs|Fcalc,alpha,beta)tcommentss$Fobs=%5.2f, sigma=%5.2f, Fcalc=%5.2fsP(Fobs|,sigma)(RtdoubletboolRtlikelihood_ratio_outlier_testtNonetposterior_modetmathtsqrttfabstposterior_mode_snd_dertlog_likelihoodtposterior_mode_log_likelihoodt mean_fobstrangetfloattexptpitmaxt set_selectedRt plot_datatadd_datatplot_data_loggraph(tfobstsigmatfcalctalphatbetatepsilontcentrictouttlimittstepsRtfobs_atfcalc_at epsilon_atalpha_atbeta_at centric_atp_calctmodetsnd_derRt low_limitt high_limittllt obs_gausstmax_llt truncate_masktccp4_loggraph_plot((sI/public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/py2/mmtbx/scaling/outlier_plots.pytplotit s®   &       (        +     c C s\tddddƒjdddddd d d d d ƒjdddddd d dd d ƒjdddddd d dd d ƒjdddddd d dd d ƒjdddddd d dƒjdddddd d dƒjdddddtd dƒjdddddd ddd dƒjdddddd dd!d d"ƒjd#|ƒ}|jjdkrttd$ƒ‚n|jjdkr•td%ƒ‚n|jj dkr¶td&ƒ‚n|jj dkr×td'ƒ‚n|jj dkrøtd(ƒ‚nt |jj|jj |jj|jj |jj |jj |jjtj|jj|jjƒ }dS()Ntusagesmmtbx.p-plotter [options]t descriptionsproduces a gnuplot plots--fobstactiontstorettypeRthelpsF obstmetavartFLOATs--sigmas sigma Fobss--fcalcsF calcs--alphaR's--betaR(s --epsilonR)s --centrict store_truetdefaultscentricity flags--limiti splotting limits--stepstintièsnumber of stepstargssplease provide fobssplease provide fcalcsplease provide epsilonsplease provide alphasplease provide beta(RtoptionRtFalsetprocesstoptionsR$RR&R)R'R(R>R%R*tsyststdoutR,R-(RJt command_linetplottery((sI/public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/py2/mmtbx/scaling/outlier_plots.pytrun~s„                            t__main__i(t __future__Rtiotbx.option_parserRtscitbx.array_familyRROt libtbx.utilsRtmmtbxRRtiotbxRR>RSt__name__targv(((sI/public2/ftp/pub/ccp4/6.5/ccp4-6.5/lib/py2/mmtbx/scaling/outlier_plots.pyts    i J