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Fixed addauxref for the triple axis code

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Added a writing state to status
This commit is contained in:
boa
2014-08-15 13:36:36 +02:00
parent 1d1f102b08
commit 9e898d1476
10 changed files with 142 additions and 30 deletions
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57
tasublib.c
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@ -184,7 +184,7 @@ double tasAngleBetweenReflections(MATRIX B, tasReflection r1,
chi1 = mat_mul(B, h1);
chi2 = mat_mul(B, h2);
if (chi1 != NULL && chi2 != NULL) {
angle = angleBetween(chi1, chi2);
angle = tasAngleBetween(chi1, chi2);
killVector(chi1);
killVector(chi2);
}
@ -271,8 +271,9 @@ int makeAuxReflection(MATRIX B, tasReflection r1, tasReflection * r2,
r2->qe.ki = r1.qe.ki;
r2->qe.kf = r1.qe.kf;
theta = calcTheta(r1.qe.ki, r1.qe.kf, r1.angles.sample_two_theta);
om = r1.angles.a3 - theta;
theta = calcTheta(r1.qe.ki, r1.qe.kf,
ss*r1.angles.sample_two_theta);
om = r1.angles.a3 - ss*theta;
om += tasAngleBetweenReflections(B, r1, *r2);
QC = tasReflectionToHC(r2->qe, B);
@ -289,12 +290,17 @@ int makeAuxReflection(MATRIX B, tasReflection r1, tasReflection * r2,
return TRIANGLENOTCLOSED;
}
r2->angles.sample_two_theta = ss * Acosd(cos2t);
theta = calcTheta(r1.qe.ki, r1.qe.kf, r2->angles.sample_two_theta);
r2->angles.a3 = om + theta;
theta = calcTheta(r1.qe.ki, r1.qe.kf, ss*r2->angles.sample_two_theta);
r2->angles.a3 = om + ss*theta;
r2->angles.a3 = fmod(r2->angles.a3 + ss*180.,360.) - ss*180.;
/*
r2->angles.a3 -= 180.;
if (r2->angles.a3 < -180.) {
r2->angles.a3 += 360.;
}
*/
mat_free(QC);
return 1;
@ -415,22 +421,16 @@ MATRIX calcPlaneNormalQ(MATRIX UB, tasReflection r1, tasReflection r2)
return planeNormal;
}
/*--------------------------------------------------------------------*/
MATRIX calcTestUB(lattice cell, double om, double sgu, double sgl)
/*--------------------------------------------------------------------
This is shot. The resulting UB is invalid. This needs more throught.
*/
MATRIX calcUBFromAngles(MATRIX B, double om, double sgu, double sgl)
{
MATRIX B, M, N, OM, UB;
MATRIX M, N, OM, UB;
int status;
/*
* create matrices
*/
B = mat_creat(3, 3, ZERO_MATRIX);
status = calculateBMatrix(cell, B);
if (status < 0) {
return NULL;
}
M = mat_creat(3, 3, ZERO_MATRIX);
N = mat_creat(3, 3, ZERO_MATRIX);
OM = mat_creat(3, 3, ZERO_MATRIX);
@ -468,11 +468,30 @@ MATRIX calcTestUB(lattice cell, double om, double sgu, double sgl)
mat_free(OM);
mat_free(N);
mat_free(M);
mat_free(B);
return UB;
}
/*--------------------------------------------------------------------*/
MATRIX calcTestUB(lattice cell, double om, double sgu, double sgl)
{
MATRIX B, UB;
int status;
/*
* create matrices
*/
B = mat_creat(3, 3, ZERO_MATRIX);
status = calculateBMatrix(cell, B);
if (status < 0) {
return NULL;
}
UB = calcUBFromAngles(B,om,sgu,sgl);
mat_free(B);
return UB;
}
/*--------------------------------------------------------------------*/
MATRIX calcTestNormal(double sgu, double sgl)
{
MATRIX M, N, Z, NORM;