diff --git a/.github/workflows/mcstas-basictest.yml b/.github/workflows/mcstas-basictest.yml index 27c821814..3ddf1beeb 100644 --- a/.github/workflows/mcstas-basictest.yml +++ b/.github/workflows/mcstas-basictest.yml @@ -429,13 +429,14 @@ jobs: export DIFFBASE=$(git merge-base origin/main HEAD) fi echo "Diffing against: $DIFFBASE" - + export RUNALL="NO" export CHANGEDCOMPS=$(git diff --name-only $DIFFBASE HEAD | grep '\.comp$' | grep mcstas-comps | xargs -n1 basename | sed 's/\.comp//g' | sort | uniq | xargs echo) export NUMCHANGEDCOMPS=$(git diff --name-only $DIFFBASE HEAD | grep '\.comp$' | grep mcstas-comps | wc -l | xargs echo) cd - compindex=0 if [ "$NUMCHANGEDCOMPS" != "0" ]; then + if [ "$NUMCHANGEDCOMPS" -lt "5" ]; then for comp in $CHANGEDCOMPS; do echo Finding tests including component $comp @@ -448,10 +449,12 @@ jobs: echo No matching tests found fi done + else + export RUNALL="YES" + fi fi cd src - export RUNALL="NO" export CHANGEDINSTR=$(git diff --name-only $DIFFBASE HEAD | grep '\.instr$' | grep mcstas-comps | xargs -n1 basename | sed 's/\.instr//g' | sort | uniq | xargs echo | sed 's/ /,/g') export NUMCHANGEDINSTR=$(git diff --name-only $DIFFBASE HEAD | grep '\.instr$' | grep mcstas-comps | wc -l | xargs echo) echo ---- diff --git a/.github/workflows/mcxtrace-basictest.yml b/.github/workflows/mcxtrace-basictest.yml index 4f9cb5a0b..36ded9b84 100644 --- a/.github/workflows/mcxtrace-basictest.yml +++ b/.github/workflows/mcxtrace-basictest.yml @@ -436,13 +436,14 @@ jobs: export DIFFBASE=$(git merge-base origin/main HEAD) fi echo "Diffing against: $DIFFBASE" - - export CHANGEDCOMPS=$(git diff --name-only $DIFFBASE HEAD | grep '\.comp$' | grep mcxtrace-comps | xargs -n1 basename | sed 's/\.comp//g' | sort | uniq | xargs echo) - export NUMCHANGEDCOMPS=$(git diff --name-only $DIFFBASE HEAD | grep '\.comp$' | grep mcxtrace-comps | wc -l | xargs echo) + export RUNALL="NO" + export CHANGEDCOMPS=$(git diff --name-only $DIFFBASE HEAD | grep '\.comp$' | grep mcstas-comps | xargs -n1 basename | sed 's/\.comp//g' | sort | uniq | xargs echo) + export NUMCHANGEDCOMPS=$(git diff --name-only $DIFFBASE HEAD | grep '\.comp$' | grep mcstas-comps | wc -l | xargs echo) cd - compindex=0 if [ "$NUMCHANGEDCOMPS" != "0" ]; then + if [ "$NUMCHANGEDCOMPS" -lt "5" ]; then for comp in $CHANGEDCOMPS; do echo Finding tests including component $comp @@ -455,10 +456,12 @@ jobs: echo No matching tests found fi done + else + export RUNALL="YES" + fi fi cd src - export RUNALL="NO" export CHANGEDINSTR=$(git diff --name-only $DIFFBASE HEAD | grep '\.instr$' | grep mcxtrace-comps | xargs -n1 basename | sed 's/\.instr//g' | sort | uniq | xargs echo | sed 's/ /,/g') export NUMCHANGEDINSTR=$(git diff --name-only $DIFFBASE HEAD | grep '\.instr$' | grep mcxtrace-comps | wc -l | xargs echo) echo ---- diff --git a/mcstas-comps/samples/PowderN.comp b/mcstas-comps/samples/PowderN.comp index 36f6baf58..33eb31cde 100644 --- a/mcstas-comps/samples/PowderN.comp +++ b/mcstas-comps/samples/PowderN.comp @@ -165,7 +165,6 @@ * density: [g/cm^3] Density of material. rho=density/weight/1e24*N_A. * nb_atoms: [1] Number of sub-unit per unit cell, that is ratio of sigma for chemical formula to sigma per unit cell * target_index: [1] Relative index of component to focus incoherent scattering at, e.g. next is +1 -* order: [1] Flag that determines whether the intensity should (1) not (0) be dampened by weighting multiple scattering * * CALCULATED PARAMETERS: * line_info: [struct] internal structure containing many members/info @@ -206,7 +205,7 @@ SETTING PARAMETERS (string reflections="NULL", string geometry="NULL", radius=0, yheight=0, xwidth=0, zdepth=0, thickness=0, pack=1, Vc=0, sigma_abs=0, sigma_inc=0, delta_d_d=0, p_inc=0.1, p_transmit=0.1, DW=0, nb_atoms=1, d_omega=0, d_phi=0, tth_sign=0, p_interact=0.8, - concentric=0, density=0, weight=0, barns=1, Strain=0, focus_flip=0, int target_index=0, int order=1) + concentric=0, density=0, weight=0, barns=1, Strain=0, focus_flip=0, int target_index=0) DEPENDENCY "@NCRYSTALFLAGS@" @@ -452,9 +451,7 @@ SHARE struct line_data* list = NULL; list = (struct line_data*)malloc (nhkl * sizeof (struct line_data)); if (!list) { - exit (fprintf (stderr, - "PowderN: %s: Error: Could not allocate line array\n", - info->compname)); + exit (fprintf (stderr, "PowderN: %s: Error: Could not allocate line array\n", info->compname)); } info->sigma_a = ncrystal_info_getxsectabsorption (ncobj); info->sigma_i = ncrystalpowdern_determine_sigma_inc (ncobj); @@ -608,9 +605,7 @@ SHARE /* allocate line_data array */ list = (struct line_data*)malloc (size * sizeof (struct line_data)); if (!list) { - exit (fprintf (stderr, - "PowderN: %s: Error: Could not allocate line array\n", - info->compname)); + exit (fprintf (stderr, "PowderN: %s: Error: Could not allocate line array\n", info->compname)); } for (i = 0; i < size; i++) { @@ -745,7 +740,10 @@ SHARE /* check if a line_info element has been recorded already - not on OpenACC */ #ifndef OPENACC if (v >= line_info->v_min && v <= line_info->v_max && line_info->neutron_passed >= CHAR_BUF_LENGTH) { - line = (int)floor (v - line_info->v_min) * CHAR_BUF_LENGTH / (line_info->v_max - line_info->v_min); + double frac = (v - line_info->v_min) / (line_info->v_max - line_info->v_min); + line = (int)floor(frac * CHAR_BUF_LENGTH); + if (line < 0) line = 0; + if (line >= CHAR_BUF_LENGTH) line = CHAR_BUF_LENGTH - 1; Nq = line_info->xs_Nq[line]; *sum = line_info->xs_sum[line]; if (!Nq && *sum == 0) { @@ -1142,11 +1140,7 @@ TRACE } else { dt = dt * (t3 - t2) + (t2 - t0); /* Possibly also 'backside' part */ } - if (order) { - my_s = line_info.my_s_v2_sum / (v * v) + line_info.my_inc; - } else { - my_s = line_info.my_inc; - } + my_s = line_info.my_s_v2_sum / (v * v) + line_info.my_inc; /* Total attenuation from scattering */ lfree = 0; ntype = rand01 (); @@ -1172,9 +1166,10 @@ TRACE if (neutrontype == 3) { /* Make coherent scattering event */ if (line_info.count > 0) { /* choose line */ - if (Nq > 1) + if (Nq > 1) { line = floor (Nq * rand01 ()); /* Select between Nq powder lines */ - else + if (line >= Nq) line = (int)Nq - 1; /* guard rand01()==1.0 edge case */ + } else line = 0; if (line_info.w_v[line]) arg = line_info.q_v[line] * (1 + line_info.w_v[line] * randnorm ()) / (2.0 * v); diff --git a/mcxtrace-comps/samples/PowderN.comp b/mcxtrace-comps/samples/PowderN.comp index 554381372..6599e9548 100644 --- a/mcxtrace-comps/samples/PowderN.comp +++ b/mcxtrace-comps/samples/PowderN.comp @@ -596,7 +596,10 @@ SHARE /* check if a line_info element has been recorded already - not on OpenACC */ #ifndef OPENACC if (k >= line_info->k_min && k <= line_info->k_max && line_info->photon_passed >= CHAR_BUF_LENGTH) { - line = (int)floor (k - line_info->k_min) * CHAR_BUF_LENGTH / (line_info->k_max - line_info->k_min); + double frac = (k - line_info->k_min) / (line_info->k_max - line_info->k_min); + line = (int)floor(frac * CHAR_BUF_LENGTH); + if (line < 0) line = 0; + if (line >= CHAR_BUF_LENGTH) line = CHAR_BUF_LENGTH - 1; Nq = line_info->xs_Nq[line]; *sum = line_info->xs_sum[line]; if (!Nq && *sum == 0) { @@ -1070,9 +1073,10 @@ TRACE if (photontype == 3) { /* Make coherent scattering event */ if (line_info.count > 0) { /* choose line */ - if (Nq > 1) + if (Nq > 1) { line = floor (Nq * rand01 ()); /* Select between Nq powder lines */ - else + if (line >= Nq) line = (int)Nq - 1; /* guard rand01()==1.0 edge case */ + } else line = 0; if (line_info.w[line]) arg = line_info.q[line] * (1 + line_info.w[line] * randnorm ()) / (2.0 * k);