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BUG: MatchCrystallography-Fix issue where AvgQuats are not updated co…
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…rrectly.

Signed-off-by: Michael Jackson <[email protected]>
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@imikejackson
imikejackson committed Apr 22, 2024
1 parent 6ac74e0 commit e94a537
Showing 1 changed file with 28 additions and 24 deletions.
52 changes: 28 additions & 24 deletions Source/Plugins/SyntheticBuilding/SyntheticBuildingFilters/MatchCrystallography.cpp
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Original file line number Diff line number Diff line change
Expand Up @@ -360,7 +360,7 @@ void MatchCrystallography::execute()
if(m_PhaseTypes[i] == static_cast<PhaseType::EnumType>(PhaseType::Type::Primary) || m_PhaseTypes[i] == static_cast<PhaseType::EnumType>(PhaseType::Type::Precipitate))
{
ss = QObject::tr("Initializing Arrays of Phase %1").arg(i);
notifyStatusMessage("Initializing Arrays");
notifyStatusMessage(ss);
initializeArrays(i);
if(getErrorCode() < 0)
{
Expand Down Expand Up @@ -511,10 +511,9 @@ void MatchCrystallography::determine_boundary_areas()

m_TotalSurfaceArea.assign(totalEnsembles, 0.0f);

int32_t phase1 = 0, phase2 = 0;
for(size_t i = 1; i < totalFeatures; i++)
{
phase1 = m_FeaturePhases[i];
int32_t phase1 = m_FeaturePhases[i];
size_t size = 0;
if(!neighborlist[i].empty() && neighborsurfacearealist[i].size() == neighborlist[i].size())
{
Expand All @@ -525,7 +524,7 @@ void MatchCrystallography::determine_boundary_areas()
{
int32_t nname = neighborlist[i][j];
float neighsurfarea = neighborsurfacearealist[i][j];
phase2 = m_FeaturePhases[nname];
int32_t phase2 = m_FeaturePhases[nname];
if(phase1 == phase2)
{
m_TotalSurfaceArea[phase1] = m_TotalSurfaceArea[phase1] + neighsurfarea;
Expand Down Expand Up @@ -567,7 +566,7 @@ void MatchCrystallography::assign_eulers(size_t ensem)
// was used, so we bail
if(numbins == 0)
{
QString ss = QObject::tr("Unkown crystal structure (%1) for phase %2").arg(m_CrystalStructures[phase]).arg(phase);
QString ss = QObject::tr("Unknown crystal structure (%1) for phase %2").arg(m_CrystalStructures[phase]).arg(phase);
setErrorCondition(-666, ss);
return;
}
Expand Down Expand Up @@ -724,10 +723,9 @@ void MatchCrystallography::matchCrystallography(size_t ensem)
size_t counter = 0;

QuatF q1;
QuatF q2;
// QuatF* avgQuats = reinterpret_cast<QuatF*>(m_AvgQuats);
//QuatF q2;

float ea1 = 0.0f, ea2 = 0.0f, ea3 = 0.0f;
// float ea1 = 0.0f, ea2 = 0.0f, ea3 = 0.0f;
float g1ea1 = 0.0f, g1ea2 = 0.0f, g1ea3 = 0.0f, g2ea1 = 0.0f, g2ea2 = 0.0f, g2ea3 = 0.0f;
int32_t g1odfbin = 0, g2odfbin = 0;
float deltaerror = 0.0f;
Expand All @@ -743,7 +741,6 @@ void MatchCrystallography::matchCrystallography(size_t ensem)

uint64_t millis = QDateTime::currentMSecsSinceEpoch();
uint64_t startMillis = millis;
int32_t lastIteration = 0;
while(badtrycount < (m_MaxIterations / 10) && iterations < m_MaxIterations)
{
uint64_t currentMillis = QDateTime::currentMSecsSinceEpoch();
Expand All @@ -757,7 +754,6 @@ void MatchCrystallography::matchCrystallography(size_t ensem)
notifyStatusMessage(ss);

millis = QDateTime::currentMSecsSinceEpoch();
lastIteration = iterations;
}
currentodferror = 0;
currentmdferror = 0;
Expand Down Expand Up @@ -809,11 +805,9 @@ void MatchCrystallography::matchCrystallography(size_t ensem)
}
else
{
ea1 = m_FeatureEulerAngles[3 * selectedfeature1];
ea2 = m_FeatureEulerAngles[3 * selectedfeature1 + 1];
ea3 = m_FeatureEulerAngles[3 * selectedfeature1 + 2];
// Create a reusable Rodrigues Vector
OrientationD rod(4, 0.0);

// Pack the Orientation Wrapper with the current Euler Angle
OrientationD eu(m_FeatureEulerAngles[3 * selectedfeature1], m_FeatureEulerAngles[3 * selectedfeature1 + 1], m_FeatureEulerAngles[3 * selectedfeature1 + 2]);
rod = OrientationTransformation::eu2ro<OrientationD, OrientationD>(eu);

Expand Down Expand Up @@ -849,7 +843,7 @@ void MatchCrystallography::matchCrystallography(size_t ensem)
int32_t neighbor = neighborlist[selectedfeature1][j];
eu = OrientationD(m_FeatureEulerAngles[3 * neighbor], m_FeatureEulerAngles[3 * neighbor + 1], m_FeatureEulerAngles[3 * neighbor + 2]);

q2 = OrientationTransformation::eu2qu<OrientationD, QuatF>(eu);
QuatF q2 = OrientationTransformation::eu2qu<OrientationD, QuatF>(eu);
float neighsurfarea = neighborsurfacearealist[selectedfeature1][j];
MC_LoopBody1(selectedfeature1, ensem, j, neighsurfarea, q1, q2, laueOp.get());
}
Expand All @@ -874,7 +868,7 @@ void MatchCrystallography::matchCrystallography(size_t ensem)
int neighbor = neighborlist[selectedfeature1][j];
eu = OrientationD(m_FeatureEulerAngles[3 * neighbor], m_FeatureEulerAngles[3 * neighbor + 1], m_FeatureEulerAngles[3 * neighbor + 2]);

q2 = OrientationTransformation::eu2qu<OrientationD, QuatF>(eu);
QuatF q2 = OrientationTransformation::eu2qu<OrientationD, QuatF>(eu);
float neighsurfarea = neighborsurfacearealist[selectedfeature1][j];
MC_LoopBody2(selectedfeature1, ensem, j, neighsurfarea, q1, q2, laueOp.get());
}
Expand Down Expand Up @@ -1029,10 +1023,10 @@ void MatchCrystallography::matchCrystallography(size_t ensem)
for(size_t j = 0; j < size; j++)
{
size_t neighbor = neighborlist[selectedfeature1][j];
ea1 = m_FeatureEulerAngles[3 * neighbor];
ea2 = m_FeatureEulerAngles[3 * neighbor + 1];
ea3 = m_FeatureEulerAngles[3 * neighbor + 2];
q2 = OrientationTransformation::eu2qu<OrientationD, QuatF>(OrientationD(ea1, ea2, ea3));
float ea1 = m_FeatureEulerAngles[3 * neighbor];
float ea2 = m_FeatureEulerAngles[3 * neighbor + 1];
float ea3 = m_FeatureEulerAngles[3 * neighbor + 2];
QuatF q2 = OrientationTransformation::eu2qu<OrientationD, QuatF>(OrientationD(ea1, ea2, ea3));
float neighsurfarea = neighborsurfacearealist[selectedfeature1][j];
if(neighbor != selectedfeature2)
{
Expand All @@ -1050,10 +1044,10 @@ void MatchCrystallography::matchCrystallography(size_t ensem)
for(size_t j = 0; j < size; j++)
{
size_t neighbor = neighborlist[selectedfeature2][j];
ea1 = m_FeatureEulerAngles[3 * neighbor];
ea2 = m_FeatureEulerAngles[3 * neighbor + 1];
ea3 = m_FeatureEulerAngles[3 * neighbor + 2];
q2 = OrientationTransformation::eu2qu<OrientationD, QuatF>(OrientationD(ea1, ea2, ea3));
float ea1 = m_FeatureEulerAngles[3 * neighbor];
float ea2 = m_FeatureEulerAngles[3 * neighbor + 1];
float ea3 = m_FeatureEulerAngles[3 * neighbor + 2];
QuatF q2 = OrientationTransformation::eu2qu<OrientationD, QuatF>(OrientationD(ea1, ea2, ea3));
float neighsurfarea = neighborsurfacearealist[selectedfeature2][j];
if(neighbor != selectedfeature1)
{
Expand All @@ -1075,6 +1069,16 @@ void MatchCrystallography::matchCrystallography(size_t ensem)
return;
}

// Ensure the Average Quats are updated correctly as the Eulers could have been changed.
for(size_t i = 0; i < totalFeatures; i++)
{
float* currentAvgQuatPtr = m_AvgQuats + i * 4;
OrientationF eu(m_FeatureEulerAngles[3 * i], m_FeatureEulerAngles[3 * i + 1], m_FeatureEulerAngles[3 * i + 2]);
QuatF q = OrientationTransformation::eu2qu<OrientationF, QuatF>(eu);
q.copyInto(currentAvgQuatPtr, QuatF::Order::VectorScalar);
}

// Place the Euler Values on the cell data
for(size_t i = 0; i < totalPoints; i++)
{
m_CellEulerAngles[3 * i] = m_FeatureEulerAngles[3 * m_FeatureIds[i]];
Expand Down

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