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124 lines
3.9 KiB
C
124 lines
3.9 KiB
C
/*
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* Copyright (C) 1992-1994 Dmitrij Frishman <d.frishman at wzw.tum.de>
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*
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* Permission is hereby granted, free of charge, to any person obtaining a copy
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* of this software and associated documentation files (the "Software"), to deal
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* in the Software without restriction, including without limitation the rights
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* to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
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* copies of the Software, and to permit persons to whom the Software is
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* furnished to do so, subject to the following conditions:
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*
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* The above copyright notice and this permission notice shall be included in
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* all copies or substantial portions of the Software.
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*
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* THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
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* IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
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* FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
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* AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
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* LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
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* OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN
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* THE SOFTWARE.
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*/
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#include "stride.h"
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int Process_SHEET(BUFFER Buffer, CHAIN **Chain, int *ChainNumber, COMMAND *Cmd)
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{
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int CC, SC, STC;
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char *Field[MAX_FIELD];
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BUFFER Tmp;
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static char PreviousChain, PreviousSheetId[RES_FIELD];
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if( Cmd->NActive && !ChInStr(Cmd->Active,SpaceToDash(Buffer[21])) )
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return(SUCCESS);
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for( CC=0; CC < *ChainNumber && Chain[CC]->Id != Buffer[21]; CC++ );
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if( CC == *ChainNumber ) {
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InitChain(&Chain[CC]);
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Chain[CC]->Id = Buffer[21];
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(*ChainNumber)++;
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}
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if( Chain[CC]->NSheet == -1 ) {
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PreviousChain = '*';
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strcpy(PreviousSheetId,"*");
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}
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SplitString(Buffer+7,Field,2);
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if( atoi(Field[0]) == 1 || Buffer[21] != PreviousChain ) {
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if( Buffer[21] == PreviousChain && !strcmp(PreviousSheetId,Field[1]) )
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return(FAILURE);
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/* die("Here it is! -> %s%c\n", Chain[CC]->File,Chain[CC]->Id);*/
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Chain[CC]->NSheet++;
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SC = Chain[CC]->NSheet;
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Chain[CC]->Sheet[SC] = (SHEET *)ckalloc(sizeof(SHEET));
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Chain[CC]->Sheet[SC]->NStrand = 0;
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STC = Chain[CC]->Sheet[SC]->NStrand;
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strcpy(Chain[CC]->Sheet[SC]->SheetId,Field[1]);
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}
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else
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{
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SC = Chain[CC]->NSheet;
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STC = Chain[CC]->Sheet[SC]->NStrand;
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}
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SplitString(Buffer+17,Field,1);
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strcpy(Chain[CC]->Sheet[SC]->ResType1[STC],Field[0]);
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SplitString(Buffer+28,Field,1);
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strcpy(Chain[CC]->Sheet[SC]->ResType2[STC],Field[0]);
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strcpy(Tmp,Buffer);
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Tmp[27] = ' ';
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Tmp[38] = ' ';
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SplitString(Tmp+22,Field,1);
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strcpy(Chain[CC]->Sheet[SC]->PDB_ResNumb1[STC],Field[0]);
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SplitString(Tmp+33,Field,1);
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strcpy(Chain[CC]->Sheet[SC]->PDB_ResNumb2[STC],Field[0]);
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Chain[CC]->Sheet[SC]->InsCode1[STC] = Buffer[26];
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Chain[CC]->Sheet[SC]->InsCode2[STC] = Buffer[37];
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SplitString(Buffer+38,Field,1);
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Chain[CC]->Sheet[SC]->Sence[STC] = atoi(Field[0]);
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if( Buffer[45] != ' ' ) {
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Chain[CC]->Sheet[SC]->RegYN[STC] = 1;
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SplitString(Buffer+45,Field,1);
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strcpy(Chain[CC]->Sheet[SC]->ResTypeReg1[STC],Field[0]);
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SplitString(Buffer+60,Field,1);
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strcpy(Chain[CC]->Sheet[SC]->ResTypeReg2[STC],Field[0]);
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Tmp[55] = ' ';
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Tmp[70] = ' ';
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SplitString(Tmp+50,Field,1);
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strcpy(Chain[CC]->Sheet[SC]->PDB_ResNumbReg1[STC],Field[0]);
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SplitString(Tmp+66,Field,1);
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strcpy(Chain[CC]->Sheet[SC]->PDB_ResNumbReg2[STC],Field[0]);
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Chain[CC]->Sheet[SC]->InsCodeReg1[STC] = Buffer[54];
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Chain[CC]->Sheet[SC]->InsCodeReg2[STC] = Buffer[69];
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Tmp[45] = ' ';
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Tmp[60] = ' ';
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SplitString(Tmp+41,Field,1);
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strcpy(Chain[CC]->Sheet[SC]->AtomNameReg1[STC],Field[0]);
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SplitString(Tmp+56,Field,1);
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strcpy(Chain[CC]->Sheet[SC]->AtomNameReg2[STC],Field[0]);
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}
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else Chain[CC]->Sheet[SC]->RegYN[STC] = 0;
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strcpy(PreviousSheetId,Chain[CC]->Sheet[SC]->SheetId);
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PreviousChain = Buffer[21];
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Chain[CC]->Sheet[SC]->NStrand++;
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return(SUCCESS);
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}
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