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#include <codon.h>
/******************************************************************
*
* aa_to_codon(sfp, aa_start, aa_stop)
* generate a list of CodonVecotr to show the codons of an
* amino acid sequence
* sfp: the Seq-feat for cds
* aa_start: the start position of protein sequence
* aa_stop the stop position of protein sequence
*
******************************************************************/
NLM_EXTERN ValNodePtr aa_to_codon(SeqFeatPtr sfp, Int4 aa_start, Int4 aa_stop)
{
BioseqPtr bsp;
Int4 frame_offset, start_offset;
SeqLocPtr slp = NULL;
SeqLocPtr cdloc;
CdRegionPtr crp;
Uint1 frame;
Boolean is_end; /**is the end for process reached?**/
Int4 p_start=0, p_stop=0; /**protein start & stop in defined
corresponding CdRegion Seq-loc**/
Int4 line_len;
Int4 cur_pos; /**current protein position in process**/
Int4 cd_len; /**length of the cDNA for the coding region**/
Int2 i, j;
Int2 k, n;
CharPtr PNTR buf;
Boolean is_new; /**Is cur_pos at the begin of new Seq-loc?**/
CharPtr temp;
SeqPortPtr spp;
Uint1 residue;
Boolean end_partial;
Int4 d_start, seq_pos;
Int2 pos;
ValNodePtr head= NULL;
CodonVectorPtr cvp;
Boolean prt_stop_codon;
Uint2 exon;
if(sfp->data.choice !=3)
return NULL;
crp = sfp->data.value.ptrvalue;
if(!crp)
return NULL;
frame = crp->frame;
cdloc = sfp->location;
if(cdloc == NULL )
return NULL;
if(frame>0)
frame_offset = frame-1;
else
frame_offset = 0;
start_offset = frame_offset;
prt_stop_codon = (aa_stop == SeqLocStop(sfp->product));
line_len = (aa_stop - aa_start + 1) + 1;
/* +1 for the possible partial start codon*/
if(prt_stop_codon)/*can be either as a stop codon or partial stop*/
++line_len;
buf = MemNew((size_t)3 * sizeof(CharPtr));
for(i =0; i<3; ++i)
buf[i] = MemNew((size_t)(line_len + 1) * sizeof (Char));
cur_pos= aa_start;
cd_len = 0;
is_end = FALSE;
p_start = 0;
slp = NULL;
exon = 0;
while(!is_end && ((slp = SeqLocFindNext(cdloc, slp))!=NULL))
{
++exon;
cd_len += SeqLocLen(slp);
end_partial = ((cd_len - start_offset)%3 != 0);
p_stop = (cd_len - start_offset)/3 -1;
if(end_partial)
++p_stop;
if(p_stop > aa_stop || (p_stop == aa_stop && !end_partial))
{
p_stop = aa_stop; /**check if the end is reached**/
is_end = TRUE;
}
if(p_stop >= cur_pos) /*get the exon*/
{
bsp = BioseqLockById(SeqLocId(slp));
if(bsp)
{
is_new = (p_start == cur_pos); /*start a new exon?*/
cvp = MemNew(sizeof(CodonVector));
cvp->sip = SeqIdDup(find_sip(bsp->id));
cvp->strand = SeqLocStrand(slp);
cvp->exonCount = exon;
if(is_new)
{
if(frame_offset == 0)
cvp->frame = 0;
else
cvp->frame = 3- (Uint1)frame_offset;
}
else
cvp->frame = 0;
if(cur_pos==0 && frame_offset > 0) /*partial start codon*/
cvp->aa_index = 0;
else
cvp->aa_index = 1;
if(is_new) /**special case of the first partial**/
d_start = SeqLocStart(slp);
else
{
if(frame_offset && p_start >0)
++p_start;
d_start = SeqLocStart(slp) + 3*(cur_pos - p_start) + frame_offset;
}
/**p_start is the start position of aa in the current Seq-loc
cur_pos is the current aa that is in process. The offset will
help to located the position on the DNA Seq-loc for translation
d_start is the position of the starting DNA in the coordinates
of DNA segment, used for mark the sequence
**/
seq_pos = d_start - SeqLocStart(slp); /**the pos in spp**/
if(SeqLocStrand(slp)== Seq_strand_minus)
d_start = SeqLocStop(slp) - seq_pos;
cvp->dna_pos = d_start;
n = (Int2)cur_pos - (Int2)aa_start + cvp->aa_index; /*position in buffer*/
for(i =0; i<3; ++i)
make_empty(buf[i], (Int2)line_len);
spp = SeqPortNewByLoc(slp, Seq_code_iupacna);
SeqPortSeek(spp, seq_pos, SEEK_SET);
/**store the partial codons**/
if(is_new && frame_offset > 0)
{
k = (Int2)frame_offset;
while(k > 0)
{
residue = SeqPortGetResidue(spp);
temp = buf[3-k]; /**the position**/
pos = n;
temp[pos] = TO_LOWER(residue);
--k;
}
++n;
if(cur_pos!=0)
++cur_pos;
}
/**load the codons**/
k =0;
while((residue = SeqPortGetResidue(spp)) != SEQPORT_EOF && cur_pos <= p_stop)
{
j= (Uint1)k%3;
temp = buf[j];
temp[n] = TO_LOWER(residue);
if(j ==2)
{ /**the last base**/
++n;
if(!prt_stop_codon|| !is_end) /*for the last codon*/
/**prt_end controls to print the whole loc**/
++cur_pos;
}
++k;
} /**end of while**/
SeqPortFree(spp);
for(i =0; i<3; ++i)
cvp->buf[i] = StringSave(buf[i]);
ValNodeAddPointer(&head, 0, (Pointer)cvp);
BioseqUnlock(bsp);
}/*end of if(bsp)*/
}/**end of if for matched intervals**/
if(end_partial)
p_start = p_stop;
else
p_start = p_stop +1;
frame_offset = (cd_len - start_offset)%3;
if(frame_offset >0)
frame_offset = 3-frame_offset;
}/**end of while(slp && !is_end) **/
for(i=0; i<3; ++i)
MemFree(buf[i]);
MemFree(buf);
return head;
}
/******************************************************************
*
* free_cvp_list(cvp_list)
* free a list of CodonVectorPtr
*
******************************************************************/
NLM_EXTERN ValNodePtr free_cvp_list(ValNodePtr cvp_list)
{
ValNodePtr next;
CodonVectorPtr cvp;
Int2 i;
while(cvp_list)
{
next = cvp_list->next;
cvp_list->next = NULL;
cvp = cvp_list->data.ptrvalue;
for(i=0; i<3; ++i)
MemFree(cvp->buf[i]);
SeqIdFree(cvp->sip);
ValNodeFreeData(cvp_list);
cvp_list = next;
}
return NULL;
}
/*********************************************************************
*
* make_cds_paragraph(sfp, aa_start, aa_stop)
* return a buffer for the display of 3-codon under one amino
* acid format. It also includes the new line characters
* This is what Jonathan K. desires to have for the sequin
* doc object
* aa_start, aa_stop: start and stop in the amino acid sequence
*
*********************************************************************/
NLM_EXTERN CharPtr make_cds_paragraph(SeqFeatPtr sfp, Int4 aa_start, Int4 aa_stop)
{
BioseqPtr pbsp;
SeqPortPtr spp;
ValNodePtr cvp_node, curr;
CodonVectorPtr cvp;
CharPtr docbuf = NULL;
Int4 num, buf_size;
Uint1 residue;
Char p_name[30];
Int4 space_len, i;
CharPtr buf;
Int4 pos;
Int4 max_len = 150;
Boolean extra_space;
if(sfp == NULL || sfp->data.choice !=3)
return NULL;
if(sfp->product == NULL)
return NULL;
pbsp = BioseqLockById(SeqLocId(sfp->product));
if(pbsp == NULL)
return NULL;
cvp_node = aa_to_codon(sfp, aa_start, aa_stop);
num = 1;
for(curr = cvp_node; curr !=NULL; curr = curr->next)
num +=3;
buf_size = num * max_len;
/* #ifdef WIN_16
if(buf_size > 10000)
{
Message(MSG_ERROR, "Can not allocate enough space ");
return NULL;
}
#endif
*/
docbuf = MemNew((size_t)(buf_size) * sizeof(Char));
MuskSeqIdWrite(pbsp->id, p_name, B_SPACE, PRINTID_TEXTID_ACCESSION, TRUE, FALSE);
/*SeqIdWrite (pbsp->id, p_name, PRINTID_FASTA_SHORT, 10);*/
pos = 0;
pos+= print_label_to_buffer(docbuf+pos, p_name, (aa_start+1), 0, FALSE,
FALSE, B_SPACE, POS_SPACE);
/*print the amino acid sequence into buffer*/
spp = SeqPortNew(pbsp, aa_start, aa_stop, Seq_strand_plus, Seq_code_ncbieaa);
while((residue = SeqPortGetResidue(spp)) != SEQPORT_EOF )
docbuf[pos++] = residue;
docbuf[pos++] = '\n';
SeqPortFree(spp);
for(curr = cvp_node; curr !=NULL; curr = curr->next)
{
cvp = curr->data.ptrvalue;
SeqIdWrite (cvp->sip, p_name, PRINTID_FASTA_SHORT, 10);
extra_space = (cvp->aa_index == 0);
for(i=0; i<3; ++i)
{
space_len = cvp->aa_index;
buf = cvp->buf[i] + cvp->aa_index;
if(i == cvp->frame)
{
pos+= print_label_to_buffer(docbuf+pos, p_name,
cvp->dna_pos, cvp->strand, extra_space, FALSE, B_SPACE, POS_SPACE);
}
else
pos+= print_label_to_buffer(docbuf+pos, NULL, -1,
0, extra_space, FALSE, B_SPACE, POS_SPACE);
sprintf(docbuf+pos, "%s\n", buf);
pos += (StringLen(buf) +1);
}
}
docbuf[pos++] = '\n';
docbuf[pos] = '\0';
free_cvp_list(cvp_node);
BioseqUnlock(pbsp);
return docbuf;
}
/******************************************************************
*
* aa_to_dnaloc(sfp, aa_start, aa_stop)
* map the amino acid sequence to a list of Seq-locs in the
* DNA sequence
*
******************************************************************/
NLM_EXTERN SeqLocPtr aa_to_dnaloc(SeqFeatPtr sfp, Int4 aa_start, Int4 aa_stop)
{
Int4 frame_offset, start_offset; /*for determine the reading frame*/
SeqLocPtr slp = NULL;
CdRegionPtr crp;
SeqLocPtr dna_loc, loc; /*for the dna location*/
Boolean is_end; /**is the end for process reached?**/
Int4 p_start=0, p_stop=0; /**protein start & stop in defined
corresponding CdRegion Seq-loc**/
Int4 cur_pos; /**current protein position in process**/
Int4 cd_len; /**length of the cDNA for the coding region**/
Boolean is_new; /**Is cur_pos at the begin of new exon?**/
Boolean end_partial; /*the end of aa is a partial codon*/
Int4 d_start, d_stop; /*the start and the stop of the DNA sequence*/
Int4 offset; /*offset from the start of the current exon*/
Int4 aa_len;
Uint1 strand;
if(sfp->data.choice !=3)
return NULL;
crp = sfp->data.value.ptrvalue;
if(!crp)
return NULL;
if(crp->frame>0)
frame_offset = crp->frame-1;
else
frame_offset = 0;
start_offset = frame_offset;
cur_pos= aa_start;
cd_len = 0;
is_end = FALSE;
p_start = 0;
slp = NULL;
dna_loc= NULL;
while(!is_end && ((slp = SeqLocFindNext(sfp->location, slp))!=NULL))
{
cd_len += SeqLocLen(slp);
end_partial = ((cd_len - start_offset)%3 != 0);
p_stop = (cd_len - start_offset)/3 -1;
if(end_partial)
++p_stop;
if(p_stop > aa_stop || (p_stop == aa_stop && !end_partial))
{
p_stop = aa_stop; /**check if the end is reached**/
is_end = TRUE;
}
if(p_stop >= cur_pos) /*get the exon*/
{
is_new = (p_start == cur_pos); /*start a new exon?*/
if(is_new) /**special case of the first partial**/
offset = 0;
else
{
if(frame_offset && p_start >0)
++p_start;
offset = 3*(cur_pos - p_start) + frame_offset;
}
strand = SeqLocStrand(slp);
if(strand == Seq_strand_minus)
d_start = SeqLocStop(slp) - offset;
else
d_start = SeqLocStart(slp) + offset;
d_stop = d_start;
aa_len = MIN(p_stop, aa_stop) - cur_pos +1;
if(strand == Seq_strand_minus)
{
d_stop -= 3*aa_len;
d_stop = MAX(d_stop, SeqLocStart(slp));
loc = SeqLocIntNew(d_stop, d_start, strand, SeqLocId(slp));
}
else
{
d_stop += 3*aa_len;
d_stop = MIN(d_stop, SeqLocStop(slp));
loc = SeqLocIntNew(d_start, d_stop, strand, SeqLocId(slp));
}
ValNodeLink(&dna_loc, loc);
if(end_partial)
cur_pos = p_stop;
else
cur_pos = p_stop+1;
}
if(end_partial)
p_start = p_stop;
else
p_start = p_stop +1;
frame_offset = (cd_len - start_offset)%3;
if(frame_offset >0)
frame_offset = 3-frame_offset;
}/**end of while(slp && !is_end) **/
return dna_loc;
}
static Boolean ck_reverse(Uint1 strand_1, Uint1 strand_2)
{
if(strand_1 == strand_2)
return FALSE;
/* if(strand_1 == 0 || strand_2 == 0)
{
if(strand_1 == Seq_strand_plus)
return FALSE;
if(strand_2 == Seq_strand_plus)
return FALSE;
} */
return (strand_1 == Seq_strand_minus || strand_2 == Seq_strand_minus);
}
NLM_EXTERN Int4 print_protein_for_cds(SeqFeatPtr sfp, CharPtr buf, SeqLocPtr loc, Boolean reverse_minus)
{
CdRegionPtr crp;
Int4 frame_offset, start_offset;
Uint1 f_strand;
Boolean reverse;
Int4 cd_len;
GatherRange gr;
Int2 p_pos, buf_len;
Int4 a_left, a_right;
Int4 aa, val;
SeqLocPtr slp;
SeqPortPtr spp;
ByteStorePtr p_data;
Int4 end_pos, start_pos = -1;
Uint1 residue;
Boolean seal_ends = FALSE;
Boolean reverse_order;
if(sfp == NULL || sfp->data.choice != 3)
return -1;
if(buf == NULL || loc == NULL)
return -1;
crp = sfp->data.value.ptrvalue;
if(crp == NULL)
return -1;
if(buf[0] == '\0')
seal_ends = TRUE;
spp = NULL;
p_data = NULL;
if(sfp->product !=NULL && !IS_BOGO_Product(sfp->ext))
{
spp = SeqPortNewByLoc(sfp->product, Seq_code_ncbieaa);
if(spp !=NULL)
{
SeqPortSeek(spp, 0, SEEK_SET);
end_pos = spp->totlen-1;
}
}
if(spp == NULL)
{
p_data = ProteinFromCdRegion(sfp, TRUE);
/* p_data = ProteinFromCdRegion(sfp, FALSE); */
if(p_data !=NULL)
{
BSSeek(p_data, 0, SEEK_SET);
end_pos = BSLen(p_data)-1;
}
}
if(spp == NULL && p_data == NULL)
return -1;
if(crp->frame == 0)
frame_offset = 0;
else
frame_offset = (Int4)crp->frame-1;
start_offset = frame_offset;
f_strand = SeqLocStrand(sfp->location);
reverse = ck_reverse(f_strand, SeqLocStrand(loc));
/*if reverse == TRUE, the translated protein is written backwards*/
if(reverse && reverse_minus)
reverse_order = TRUE;
else
reverse_order = FALSE;
slp = NULL;
cd_len = 0;
aa = 0;
buf_len = SeqLocLen(loc);
if(reverse_order)
{
p_pos = buf_len -1;
if(seal_ends)
{
buf[p_pos+1] = '\0';
seal_ends = FALSE;
}
}
else
p_pos = 0;
while((slp = SeqLocFindNext(sfp->location, slp))!=NULL)
{
if(SeqLocOffset(loc, slp, &gr, 0))
{
if(reverse_order)
{
if(gr.right < p_pos)
p_pos = (Int2)(gr.right);
}
else
{
if(p_pos < gr.left)
p_pos = (Int2)(gr.left);
}
SeqLocOffset(slp, loc, &gr, 0);
a_left = gr.left + cd_len;
a_right = gr.right + cd_len;
/* if(reverse_order)
{
temp = a_right;
a_right = -a_left;
a_left = -temp;
} */
for(; a_left<=a_right; ++a_left)
{
val = ABS(a_left) - start_offset;
aa = val/3;
if(aa < 0 || aa > end_pos)/*stop & partial codon*/
{
buf[p_pos] = '^';
}
else
{
if(val%3==1)/*label aa in the middle of 3-bp codon*/
{
if(start_pos == -1)
start_pos = aa;
if(spp !=NULL)
{
SeqPortSeek(spp, aa, SEEK_SET);
residue = SeqPortGetResidue(spp);
}
else
{
BSSeek(p_data, aa, SEEK_SET);
residue = (Uint1)BSGetByte(p_data);
}
if(IS_ALPHA(residue) || residue == '*' || residue == '-')
buf[p_pos] = residue;
else
buf[p_pos] = '?';
}
else
buf[p_pos] = ' ';
}
if(reverse_order)
-- p_pos;
else {
++p_pos;
if (p_pos > buf_len)
break;
}
}
}
cd_len += SeqLocLen(slp);
/*frame_offset = (cd_len - start_offset)%3;
if(frame_offset > 0)
--frame_offset;*/
}
if(spp != NULL)
SeqPortFree(spp);
if(p_data != NULL)
BSFree(p_data);
if(p_pos == 0) /*all the residues are introns*/
{
if(seal_ends)
{
end_pos = buf_len;
MemSet((Pointer)buf, '~', (size_t)(end_pos) * sizeof(Char));
buf[end_pos] = '\0';
}
}
else
{
if(seal_ends)
{
buf[p_pos] = '\0';
}
if(start_pos == -1)
start_pos = aa;
}
return start_pos;
}
/********************************************************************
*
* print_label_to_buffer(buf, label, pos, strand, extra_space)
*
* print a label (with label_name=label, position=pos,
* orientation = strand, extra_space = extra_space for partial start)
* into the current buffer
* return the offset of the buffer pointer to the current buffer
*
*********************************************************************/
NLM_EXTERN Int4 print_label_to_buffer_all(CharPtr buf, CharPtr label,
Int4 pos, Uint1 strand, Boolean extra_space, Boolean is_html,
Int4 label_space, Int4 num_space, Boolean show_strand)
{
return print_label_to_buffer_all_ex(buf, label, pos, strand,
extra_space, is_html, label_space, num_space, show_strand,
TRUE);
}
/********************************************************************
*
* print_label_to_buffer_all_ex(buf, label, pos, strand, extra_space)
*
* print a label (with label_name=label, position=pos,
* orientation = strand, extra_space = extra_space for partial start)
* into the current buffer
* return the offset of the buffer pointer to the current buffer
* Has an option to strip/not-strip semicolons for hardline old blast
* users.
*
*********************************************************************/
NLM_EXTERN Int4 print_label_to_buffer_all_ex(CharPtr buf, CharPtr label,
Int4 pos, Uint1 strand, Boolean extra_space, Boolean is_html,
Int4 label_space, Int4 num_space, Boolean show_strand,
Boolean strip_semicolon)
{
Int4 len;
Char symbol;
Char temp[100];
Int4 i = 0;
CharPtr str;
Int4 max_b_space;
/*
* print the label to the buffer
*/
max_b_space = label_space + 1;
len = 0;
if(label)
{
if (strip_semicolon)
{
str= StrTok(label, ":");
if(str == NULL)
str = label;
else
{
str = StrTok(NULL, ":");
if(str == NULL)
str = label;
}
}
else
{
str = label;
}
len = MIN(max_b_space-1, (Int4)StringLen(str));
StringNCpy(buf, str, len);
i = len;
if(is_html)
{
sprintf(buf+i, "</a>");
i += 4;
}
buf[i++] = ' ';
++len;
}
/*add the leftover empty space */
for(; len<max_b_space; ++len)
buf[i++] = ' ';
if(show_strand)
{
symbol = ' ';
if(strand == Seq_strand_plus)
symbol = '>';
if(strand == Seq_strand_minus)
symbol = '<';
buf[i++] = ' ';
buf[i++] = symbol;
buf[i++] = ' ';
}
len = 0;
if(pos != -1)
{
sprintf(buf+i, "%ld", (long) pos);
sprintf(temp, "%ld", (long) pos);
len = StringLen(temp);
i += len;
}
if(extra_space) /*for partial codon*/
++len;
max_b_space = num_space + 1;
for(; len <max_b_space; ++len)
buf[i++] = ' ';
return i;
}
NLM_EXTERN Int4 print_label_to_buffer(CharPtr buf, CharPtr label, Int4 pos, Uint1 strand,
Boolean extra_space, Boolean is_html, Int4 label_space, Int4 num_space)
{
return print_label_to_buffer_all(buf, label, pos, strand,
extra_space, is_html, label_space, num_space, TRUE);
}
NLM_EXTERN void print_label(FILE *fp, CharPtr label, Int4 pos, Uint1 strand, Boolean extra_space)
{
Int4 len;
Char symbol;
Char temp[100];
len = 0;
if(label)
{
len = StringLen(label);
fprintf(fp, "%s", label);
}
for(; len<B_SPACE; ++len)
fprintf(fp, " ");
symbol = ' ';
if(strand == Seq_strand_plus)
symbol = '>';
if(strand == Seq_strand_minus)
symbol = '<';
fprintf(fp, " %c ", symbol);
len = 0;
if(pos != -1)
{
sprintf(temp, "%ld", (long) pos);
len = StringLen(temp);
fprintf(fp, "%s", temp);
}
if(extra_space) /*for partial codon*/
++len;
for(; len <POS_SPACE; ++len)
fprintf(fp, " ");
}
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