Connection Tables from Wiswesser Chemical Structure Notations--a Partial AlgorithmU.S. Department of Commerce, National Bureau of Standards, 1968 - 25 pages An algorithm has been developed for transforming certain types of Wiswesser organic structure notations into connection tables.Acyclic and benzene structures are treated, and provision was made for all of the types of contractions used by the Wiswesser notation system.A separate algorithm is presented for treating linearly fused ring aggregates. A syntax was developed to describe those portions of Wiswesser notations which refer to non-benzene ring systems.(Author). |
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Page 3
... WRING ( WG ) = SIZE RTYPE ( W ) = 1 RG = 0 BRA RG = 0 VALUE = ' A ' RING IS NOW DEFINED AS THE ARRAY REFERRED BY THE WRING STACK IN TERMS OF INITIAL ADDRESS RING = WRING ( 3 , WG ) BLOCK LOC . DATA ONTO WRING STACK PREPARES DATA FØR ...
... WRING ( WG ) = SIZE RTYPE ( W ) = 1 RG = 0 BRA RG = 0 VALUE = ' A ' RING IS NOW DEFINED AS THE ARRAY REFERRED BY THE WRING STACK IN TERMS OF INITIAL ADDRESS RING = WRING ( 3 , WG ) BLOCK LOC . DATA ONTO WRING STACK PREPARES DATA FØR ...
Page 6
... WRING ( W ) = 0 W = W - 1 I = I +4 CHAR ( I + 4 ) a TWO CONSECUTIVE BLANKS BLNK JKEEP O TEST MULTIPLICATION TYPE ... WRING ( W ) = O GIMME ( WRING ( W ) REMOVE BLOCK DIMENSIONS AND ADDRESS FRØM WRING STACK ERRØR- RING HAS YNOT BEEN ...
... WRING ( W ) = 0 W = W - 1 I = I +4 CHAR ( I + 4 ) a TWO CONSECUTIVE BLANKS BLNK JKEEP O TEST MULTIPLICATION TYPE ... WRING ( W ) = O GIMME ( WRING ( W ) REMOVE BLOCK DIMENSIONS AND ADDRESS FRØM WRING STACK ERRØR- RING HAS YNOT BEEN ...
Page 7
... WRING ( 2 , WG ) - WRING ( 3 , WG ) RING ( 1 , RG ) RING ( 1 , RG ) RING ( 1 , RG ) -1 CƠNN : RING ( 2 , RG ) RG = RG +1 COPY ( FMG ( 2 ) , FMG ( 1 ) , J , CONN , CPYSW ) See part 18 POSITION OF CHAR . DECML ( F ) = DECML ( F ) -4 RG ...
... WRING ( 2 , WG ) - WRING ( 3 , WG ) RING ( 1 , RG ) RING ( 1 , RG ) RING ( 1 , RG ) -1 CƠNN : RING ( 2 , RG ) RG = RG +1 COPY ( FMG ( 2 ) , FMG ( 1 ) , J , CONN , CPYSW ) See part 18 POSITION OF CHAR . DECML ( F ) = DECML ( F ) -4 RG ...
Page 17
... WRING W Y CITED ON UNDECLARED LOCO 2 ( CHAR ( I ) , WRING ( W ) ) I = I + 1 CHAR ( I ) = SPACE N See part 18 RING T38 CHAR ( I + 2 ) = R ERRØR- C8 FMG = J - 4 I = I +2 BR part 3 SR2 BND = 0 ( 1,0 , J , CONN ) See port 18 CHAP ( T ) ...
... WRING W Y CITED ON UNDECLARED LOCO 2 ( CHAR ( I ) , WRING ( W ) ) I = I + 1 CHAR ( I ) = SPACE N See part 18 RING T38 CHAR ( I + 2 ) = R ERRØR- C8 FMG = J - 4 I = I +2 BR part 3 SR2 BND = 0 ( 1,0 , J , CONN ) See port 18 CHAP ( T ) ...
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Common terms and phrases
acyclic ADDRESS algorithm ANTSAT ATØM atom number atom symbol back connection benzene rings BLNK block BØND bond indicator branch symbol branched atom stack branched locant CHAR CHAR(I CHAR(I+2 Chemical Structure Notations cipher cited CONN connection table copying CPYSW cyclic notations cyclic portions DECML F DIGIT ERRØR EXAMINE STORAGE FIGURE FLAG FLOW-CHART FOR TRANSFORMING followed GIMME HALOGEN HOLDR hyphen ILLEGAL indicated initial character INPUT INUSE TABLE INUSE(I JKEEP JLIM JUNK JUNK(K last atom last locant linearly fused ring LOCMAG METALLOCENE METHYL CONTRACTION multicyclic points NAME NBRCH NULL Partial Algorithm port 18 processing recursion ring atoms ring declaration ring segment symbol Ring Size ring system routine RSIZE Rule SCONN SPACE SR2 TATNO stored string subroutine substituent syntax table limits TATNØ terminal TRANSFORMING WISWESSER NOTATIONS TRANSFORMING WISWESSER NOTATIONS-Port VJUNK WISCO Wiswes WISWESSER LINE NOTATIONS WRING