Re: bug/feature in $AES

Hi Nick, It would help if you prepare a cleaner example that demonstrate the problem. What exactly are you trying to achieve (A(?)=?). A(1) and A(2) are not initialized in the code below, so they are zeros as they should. Is this about A3, A4? If yes, the problem could be in communication between $AES and $PK. Is it allowed to use A() in the PK block? > GBASE=A(3)/VGLU ; GLUCOSE INITIAL > IBASE=A(4)/VINS ; INSULIN INITIAL From help: " Right-hand quantities (of PK block can contain - LG) in assignment statement and in conditions: Data item labels specified on the $INPUT statement. THETA(n). ETA(n) (Used if the data are population.) PK-defined items that appeared earlier as left-hand quantities. I think, PK and blocks below can communicate via COMMONs but you need to take special action (via COMRES) to make them available, and they have a 1-record delay (next record knows about COM() of the previous record). I could be wrong on that, did it just once, and it was related to ERROR, not AES, but we put extra record with the same time, just to pass variable to PK Leonid Nick Holford wrote: > Hi, > [Second attempt - there was an error in the copy of the control stream in our > first attempt] > Carl Kirkpatrick and I have been trying to use $AES to compute initial values > for use with $DES. > We can get $AES to produce the correct equilibrium values at times after time=0 > but cannot access these values at time=0 or at time=0.001. Because the > equilibrium (i.e. initial condition) values are not available at time=0 we > cannot use the NMVI method for initalizing the amounts in the compartments > using A_0(1)=GBASE and A_0(2)=IBASE. > > We have inserted dosing records using the old NMV bioavailability trick to try > and initialize the compartments at time=0.002. This almost gets the correct > solution at time=0.002 in both compartments. > > Can anyone explain why the algebraic equation results are not available at > time=0 and time=0.001? > > Nick and Carl > > --- table file output ----- GLU=A(1) INS=A(2) > ID TIME AMT CMT F1 F2 GBASE GLU IBASE INS > 1 0 0 1 0 0 0 0 0 0 > 1 0 0 2 0 0 0 0 0 0 > 1 0.001 0 1 0 0 0 0.0009 0 0.0024 > 1 0.002 1 1 187.14 527.49 4.6785 4.6805 13.187 0.0049 > 1 0.002 1 2 187.14 527.49 4.6785 4.6805 13.187 13.192 > 1 100 0 1 0 0 4.6785 4.6785 13.187 13.187 > 1 100 0 2 0 0 4.6785 4.6785 13.187 13.187 > ---- Control stream -------- > $PROB GLUCOSE AND INSULIN INITIAL VALUE > $DATA test.csv > $INPUT ID TIME CMT AMT DV > $SIM (200070927) ONLYSIM NSUB=1 > > $THETA > 40 ; POP_RGLU MMOL/H/70KG > > 40 ; POP_VGLU L/70KG 4 ; POP_CLGLU L/H/70KG > > 1 ; POP_EMXGLU > 10 ; POP_C50GLU MMOL/L > 100 ; POP_RINS NMOL/H/70KG > 40 ; POP_VINS L/70KG > 10 ; POP_CLINS L/H/70KG > 2 ; POP_EMXINS > 10 ; POP_C50INS NMOL/L > > $OMEGA > 0 FIX ;PPV_RGLU > 0 FIX ;PPV_RINS > > $SIGMA > > 0.1 ;G_EXP_RUV > 1 ;G_ADD_RUV > 0.1 ;I_EXP_RUV > 1 ;I_ADD_RUV > > $SUBR ADVAN9 TOL=3 > > $MODEL > COMP (GLUCOSE) > COMP (INSULIN) > COMP (GLU EQUILIBRIUM) > COMP (INS EQUILIBRIUM) > > $PK "FIRST " COMMON/PRCOMG/IDUM1,IDUM2,IMAX " INTEGER IDUM1,IDUM2,IMAX " IMAX=1000000 > > ; GLUCOSE > RGLU=THETA(1)*EXP(ETA(1)) > > VGLU=THETA(2) CLGLU=THETA(3) > > EMXGLU=THETA(4) > C50GLU=THETA(5) > > ;INSULIN RINS=THETA(6)*EXP(ETA(2)) > > VINS=THETA(7) > CLINS=THETA(8) > EMXINS=THETA(9) > C50INS=THETA(10) > > GBASE=A(3)/VGLU ; GLUCOSE INITIAL > IBASE=A(4)/VINS ; INSULIN INITIAL > IF (AMT.GT.0) THEN > F1=GBASE*VGLU > F2=IBASE*VINS > ELSE > F1=0 > F2=0 > ENDIF > S1=VGLU > S2=VINS > > $AESINITIAL > INIT=0 > > A(3)=5 ; MMOL/L A(4)=10 ; NMOL/L > > $AES > EGLU=A(3)/VGLU > EINS=A(4)/VINS > EGEFF=EMXGLU*EGLU/(C50GLU+EGLU) > EIEFF=EMXINS*EINS/(C50INS+EINS) > E(3)=RGLU - CLGLU*(1+EIEFF)*EGLU ; GLUCOSE EQUILIBRIUM > E(4)=RINS*(1+EGEFF) - CLINS*EINS ; INSULIN EQUILIBRIUM > > $DES DGLU=A(1)/VGLU DINS=A(2)/VINS DGEFF=EMXGLU*DGLU/(C50GLU+DGLU) > > DIEFF=EMXINS*DINS/(C50INS+DINS) > DADT(1)=RGLU - CLGLU*(1+DIEFF)*DGLU > DADT(2)=RINS*(1+DGEFF)- CLINS*DINS > > $ERROR > GLU=A(1)/VGLU > INS=A(2)/VINS > > IF (CMT.EQ.1)THEN Y=GLU*(1+ERR(1))+ERR(2) > > ENDIF > > IF (CMT.EQ.2)THEN > > Y=INS*(1+ERR(3))+ERR(4) > ENDIF > > $TABLE ID TIME AMT CMT F1 F2 GBASE GLU IBASE INS NOAPPEND ONEHEADER NOPRINT FILE=test.fit > > ---- test.dat -------------------- > #id,time,cmt,amount,dv > 1,0,1,.,. > 1,0,2,.,. > 1,0.001,1,.,. > 1,0.002,1,1,. > 1,0.002,2,1,. > 1,100,1,.,. > 1,100,2,.,. > > -- > Nick Holford, Dept Pharmacology & Clinical Pharmacology > University of Auckland, 85 Park Rd, Private Bag 92019, Auckland, New Zealand > [EMAIL PROTECTED] tel:+64(9)373-7599x86730 fax:+64(9)373-7090 > www.health.auckland.ac.nz/pharmacology/staff/nholford