// The XP score is the sum of the score of each pair of
// sequences between two profiles which are aligned to
// each other. Notice that for two given profiles aligned
// in different ways, the difference in XP score must be
// the same as the difference in SP score because the
// score of a pair of sequences in one profile doesn't
// depend on the alignment.
SCORE ObjScoreXP(const MSA &msa1, const MSA &msa2)
{
const unsigned uColCount1 = msa1.GetColCount();
const unsigned uColCount2 = msa2.GetColCount();
if (uColCount1 != uColCount2)
Quit("ObjScoreXP, alignment lengths differ %u %u", uColCount1, uColCount2);
const unsigned uSeqCount1 = msa1.GetSeqCount();
const unsigned uSeqCount2 = msa2.GetSeqCount();
#if TRACE
Log(" Score Weight Weight Total\n");
Log("---------- ------ ------ ----------\n");
#endif
SCORE scoreTotal = 0;
unsigned uPairCount = 0;
for (unsigned uSeqIndex1 = 0; uSeqIndex1 < uSeqCount1; ++uSeqIndex1)
{
const WEIGHT w1 = msa1.GetSeqWeight(uSeqIndex1);
for (unsigned uSeqIndex2 = 0; uSeqIndex2 < uSeqCount2; ++uSeqIndex2)
{
const WEIGHT w2 = msa2.GetSeqWeight(uSeqIndex2);
const WEIGHT w = w1*w2;
SCORE scoreLetters = ScoreSeqPairLetters(msa1, uSeqIndex1, msa2, uSeqIndex2);
SCORE scoreGaps = ScoreSeqPairGaps(msa1, uSeqIndex1, msa2, uSeqIndex2);
SCORE scorePair = scoreLetters + scoreGaps;
scoreTotal += w1*w2*scorePair;
++uPairCount;
#if TRACE
Log("%10.2f %6.3f %6.3f %10.2f >%s >%s\n",
scorePair,
w1,
w2,
scorePair*w1*w2,
msa1.GetSeqName(uSeqIndex1),
msa2.GetSeqName(uSeqIndex2));
#endif
}
}
if (0 == uPairCount)
Quit("0 == uPairCount");
#if TRACE
Log("msa1=\n");
msa1.LogMe();
Log("msa2=\n");
msa2.LogMe();
Log("XP=%g\n", scoreTotal);
#endif
// return scoreTotal / uPairCount;
return scoreTotal;
}
// The usual sum-of-pairs objective score: sum the score
// of the alignment of each pair of sequences.
SCORE ObjScoreSP(const MSA &msa, SCORE MatchScore[])
{
#if TRACE
Log("==================ObjScoreSP==============\n");
Log("msa=\n");
msa.LogMe();
#endif
g_SPScoreLetters = 0;
g_SPScoreGaps = 0;
if (0 != MatchScore)
{
const unsigned uColCount = msa.GetColCount();
for (unsigned uColIndex = 0; uColIndex < uColCount; ++uColIndex)
MatchScore[uColIndex] = 0;
}
const unsigned uSeqCount = msa.GetSeqCount();
SCORE scoreTotal = 0;
unsigned uPairCount = 0;
#if TRACE
Log("Seq1 Seq2 wt1 wt2 Letters Gaps Unwt.Score Wt.Score Total\n");
Log("---- ---- ------ ------ ---------- ---------- ---------- ---------- ----------\n");
#endif
for (unsigned uSeqIndex1 = 0; uSeqIndex1 < uSeqCount; ++uSeqIndex1)
{
const WEIGHT w1 = msa.GetSeqWeight(uSeqIndex1);
for (unsigned uSeqIndex2 = uSeqIndex1 + 1; uSeqIndex2 < uSeqCount; ++uSeqIndex2)
{
const WEIGHT w2 = msa.GetSeqWeight(uSeqIndex2);
const WEIGHT w = w1*w2;
SCORE scoreLetters = ScoreSeqPairLetters(msa, uSeqIndex1, msa, uSeqIndex2);
SCORE scoreGaps = ScoreSeqPairGaps(msa, uSeqIndex1, msa, uSeqIndex2);
SCORE scorePair = scoreLetters + scoreGaps;
++uPairCount;
scoreTotal += w*scorePair;
g_SPScoreLetters += w*scoreLetters;
g_SPScoreGaps += w*scoreGaps;
#if TRACE
Log("%4d %4d %6.3f %6.3f %10.2f %10.2f %10.2f %10.2f %10.2f >%s >%s\n",
uSeqIndex1,
uSeqIndex2,
w1,
w2,
scoreLetters,
scoreGaps,
scorePair,
scorePair*w1*w2,
scoreTotal,
msa.GetSeqName(uSeqIndex1),
msa.GetSeqName(uSeqIndex2));
#endif
}
}
#if TEST_SPFAST
{
SCORE f = ObjScoreSPFast(msa);
Log("Fast = %.6g\n", f);
Log("Brute = %.6g\n", scoreTotal);
if (BTEq(f, scoreTotal))
Log("Agree\n");
else
Log("** DISAGREE **\n");
}
#endif
// return scoreTotal / uPairCount;
return scoreTotal;
}
// this is a version of the profile x profile score that computes
// a per-site score suitable for use with anchoring heuristics
SCORE LetterObjScoreXP(const MSA &msa1, const MSA &msa2, SCORE MatchScore[])
{
const unsigned uColCount1 = msa1.GetColCount();
const unsigned uColCount2 = msa2.GetColCount();
if (uColCount1 != uColCount2)
Quit("ObjScoreXP, alignment lengths differ %u %u", uColCount1, uColCount2);
const unsigned uSeqCount1 = msa1.GetSeqCount();
const unsigned uSeqCount2 = msa2.GetSeqCount();
#if TRACE
Log(" Score Weight Weight Total\n");
Log("---------- ------ ------ ----------\n");
#endif
SCORE* mmScore = NULL;
SCORE* ggScore = NULL;
if( MatchScore != NULL )
{
mmScore = new SCORE[uColCount1];
ggScore = new SCORE[uColCount1];
memset( MatchScore, 0, sizeof(SCORE)*uColCount1 );
}
SCORE scoreTotal = 0;
unsigned uPairCount = 0;
for (unsigned uSeqIndex1 = 0; uSeqIndex1 < uSeqCount1; ++uSeqIndex1)
{
const WEIGHT w1 = msa1.GetSeqWeight(uSeqIndex1);
for (unsigned uSeqIndex2 = 0; uSeqIndex2 < uSeqCount2; ++uSeqIndex2)
{
if( mmScore != NULL )
memset( mmScore, 0, sizeof(SCORE)*uColCount1 );
if( ggScore != NULL )
memset( ggScore, 0, sizeof(SCORE)*uColCount1 );
const WEIGHT w2 = msa2.GetSeqWeight(uSeqIndex2);
const WEIGHT w = w1*w2;
SCORE scoreLetters = ScoreSeqPairLetters(msa1, uSeqIndex1, msa2, uSeqIndex2, mmScore);
SCORE scoreGaps = ScoreSeqPairGaps(msa1, uSeqIndex1, msa2, uSeqIndex2, ggScore);
SCORE scorePair = scoreLetters + scoreGaps;
scoreTotal += w*scorePair;
++uPairCount;
if( MatchScore != NULL )
for( unsigned uColIndex = 0; uColIndex < uColCount1; ++uColIndex )
MatchScore[uColIndex] += w*(mmScore[uColIndex]+ggScore[uColIndex]);
#if TRACE
Log("%10.2f %6.3f %6.3f %10.2f >%s >%s\n",
scorePair,
w1,
w2,
scorePair*w1*w2,
msa1.GetSeqName(uSeqIndex1),
msa2.GetSeqName(uSeqIndex2));
#endif
}
}
if (0 == uPairCount)
Quit("0 == uPairCount");
#if TRACE
Log("msa1=\n");
msa1.LogMe();
Log("msa2=\n");
msa2.LogMe();
Log("XP=%g\n", scoreTotal);
#endif
// return scoreTotal / uPairCount;
if( mmScore != NULL )
delete[] mmScore;
if( ggScore != NULL )
delete[] ggScore;
return scoreTotal;
}