diff --git a/mcstas-comps/examples/Tests_samples/Test_Powders/Test_Powders.instr b/mcstas-comps/examples/Tests_samples/Test_Powders/Test_Powders.instr index 72b0faf5f..8373889e8 100644 --- a/mcstas-comps/examples/Tests_samples/Test_Powders/Test_Powders.instr +++ b/mcstas-comps/examples/Tests_samples/Test_Powders/Test_Powders.instr @@ -14,38 +14,38 @@ * %Description * A test instrument for Powder output from different sample components. * -* %Example: lambda=2.5 directbeam=0 comp=0 material=Ge SPLITS=1 Detector: Sph_mon_I=3.67e+08 -* %Example: lambda=2.5 directbeam=0 comp=0 material=Ge SPLITS=1 Detector: psd_mon_I=7.35e+05 -* %Example: lambda=2.5 directbeam=0 comp=1 material=Ge SPLITS=1 Detector: Sph_mon_I=4.2e+08 -* %Example: lambda=2.5 directbeam=0 comp=1 material=Ge SPLITS=1 Detector: psd_mon_I=8.3e+05 -* %Example: lambda=2.5 directbeam=0 comp=2 material=Ge SPLITS=1 Detector: Sph_mon_I=4.2e+08 -* %Example: lambda=2.5 directbeam=0 comp=2 material=Ge SPLITS=1 Detector: psd_mon_I=8.3e+05 -* %Example: lambda=2.5 directbeam=0 comp=3 material=Ge SPLITS=1 Detector: Sph_mon_I=4.2e+08 -* %Example: lambda=2.5 directbeam=0 comp=3 material=Ge SPLITS=1 Detector: psd_mon_I=8.3e+05 -* %Example: lambda=2.5 directbeam=0 comp=0 material=Al twotheta=76.5 SPLITS=1 Detector: Sph_mon_I=9.1e+07 -* %Example: lambda=2.5 directbeam=0 comp=0 material=Al twotheta=76.5 SPLITS=1 Detector: psd_mon_I=1.94e+05 -* %Example: lambda=2.5 directbeam=0 comp=1 material=Al twotheta=76.5 SPLITS=1 Detector: Sph_mon_I=1.1e+08 -* %Example: lambda=2.5 directbeam=0 comp=1 material=Al twotheta=76.5 SPLITS=1 Detector: psd_mon_I=2e+05 -* %Example: lambda=2.5 directbeam=0 comp=2 material=Al twotheta=76.5 SPLITS=1 Detector: Sph_mon_I=1.1e+08 -* %Example: lambda=2.5 directbeam=0 comp=2 material=Al twotheta=76.5 SPLITS=1 Detector: psd_mon_I=2e+05 -* %Example: lambda=2.5 directbeam=0 comp=3 material=Al twotheta=76.5 SPLITS=1 Detector: Sph_mon_I=1.1e+08 -* %Example: lambda=2.5 directbeam=0 comp=3 material=Al twotheta=76.5 SPLITS=1 Detector: psd_mon_I=2.19e+05 -* %Example: lambda=2.5 directbeam=0 comp=0 material=LaMnO3 twotheta=80 SPLITS=1 Detector: Sph_mon_I=2.48e+08 -* %Example: lambda=2.5 directbeam=0 comp=0 material=LaMnO3 twotheta=80 SPLITS=1 Detector: psd_mon_I=1.78e+05 -* %Example: lambda=2.5 directbeam=0 comp=1 material=LaMnO3 twotheta=80 SPLITS=1 Detector: Sph_mon_I=3.1e+08 -* %Example: lambda=2.5 directbeam=0 comp=1 material=LaMnO3 twotheta=80 SPLITS=1 Detector: psd_mon_I=2.1e+05 -* %Example: lambda=2.5 directbeam=0 comp=2 material=LaMnO3 twotheta=80 SPLITS=1 Detector: Sph_mon_I=3.1e+08 -* %Example: lambda=2.5 directbeam=0 comp=2 material=LaMnO3 twotheta=80 SPLITS=1 Detector: psd_mon_I=1.9e+05 -* %Example: lambda=2.5 directbeam=0 comp=3 material=LaMnO3 twotheta=80 SPLITS=1 Detector: Sph_mon_I=3.1e+08 -* %Example: lambda=2.5 directbeam=0 comp=3 material=LaMnO3 twotheta=80 SPLITS=1 Detector: psd_mon_I=1.9e+05 -* %Example: lambda=2.5 directbeam=0 comp=0 material=NaCl twotheta=78 SPLITS=1 Detector: Sph_mon_I=2.13e+08 -* %Example: lambda=2.5 directbeam=0 comp=0 material=NaCl twotheta=78 SPLITS=1 Detector: psd_mon_I=3.2e+05 -* %Example: lambda=2.5 directbeam=0 comp=1 material=NaCl twotheta=78 SPLITS=1 Detector: Sph_mon_I=2.5e+08 -* %Example: lambda=2.5 directbeam=0 comp=1 material=NaCl twotheta=78 SPLITS=1 Detector: psd_mon_I=3.4e+05 -* %Example: lambda=2.5 directbeam=0 comp=2 material=NaCl twotheta=78 SPLITS=1 Detector: Sph_mon_I=2.5e+08 -* %Example: lambda=2.5 directbeam=0 comp=2 material=NaCl twotheta=78 SPLITS=1 Detector: psd_mon_I=3.4e+05 -* %Example: lambda=2.5 directbeam=0 comp=3 material=NaCl twotheta=78 SPLITS=1 Detector: Sph_mon_I=2.5e+08 -* %Example: lambda=2.5 directbeam=0 comp=3 material=NaCl twotheta=78 SPLITS=1 Detector: psd_mon_I=3.4e+05 +* %Example: lambda=2.5 directbeam=0 comp=0 material=Ge SPLITS=1 Detector: Sph_mon_I=3.67298e+08 +* %Example: lambda=2.5 directbeam=0 comp=0 material=Ge SPLITS=1 Detector: psd_mon_I=773137 +* %Example: lambda=2.5 directbeam=0 comp=1 material=Ge SPLITS=1 Detector: Sph_mon_I=3.85947e+08 +* %Example: lambda=2.5 directbeam=0 comp=1 material=Ge SPLITS=1 Detector: psd_mon_I=811340 +* %Example: lambda=2.5 directbeam=0 comp=2 material=Ge SPLITS=1 Detector: Sph_mon_I=3.914e+08 +* %Example: lambda=2.5 directbeam=0 comp=2 material=Ge SPLITS=1 Detector: psd_mon_I=723428 +* %Example: lambda=2.5 directbeam=0 comp=3 material=Ge SPLITS=1 Detector: Sph_mon_I=4.68483e+08 +* %Example: lambda=2.5 directbeam=0 comp=3 material=Ge SPLITS=1 Detector: psd_mon_I=786876 +* %Example: lambda=2.5 directbeam=0 comp=0 material=Al twotheta=76.5 SPLITS=1 Detector: Sph_mon_I=9.12821e+07 +* %Example: lambda=2.5 directbeam=0 comp=0 material=Al twotheta=76.5 SPLITS=1 Detector: psd_mon_I=197078 +* %Example: lambda=2.5 directbeam=0 comp=1 material=Al twotheta=76.5 SPLITS=1 Detector: Sph_mon_I=1.10426e+08 +* %Example: lambda=2.5 directbeam=0 comp=1 material=Al twotheta=76.5 SPLITS=1 Detector: psd_mon_I=230205 +* %Example: lambda=2.5 directbeam=0 comp=2 material=Al twotheta=76.5 SPLITS=1 Detector: Sph_mon_I=9.9981e+07 +* %Example: lambda=2.5 directbeam=0 comp=2 material=Al twotheta=76.5 SPLITS=1 Detector: psd_mon_I=178603 +* %Example: lambda=2.5 directbeam=0 comp=3 material=Al twotheta=76.5 SPLITS=1 Detector: Sph_mon_I=1.20784e+08 +* %Example: lambda=2.5 directbeam=0 comp=3 material=Al twotheta=76.5 SPLITS=1 Detector: psd_mon_I=204570 +* %Example: lambda=2.5 directbeam=0 comp=0 material=LaMnO3 twotheta=80 SPLITS=1 Detector: Sph_mon_I=2.48616e+08 +* %Example: lambda=2.5 directbeam=0 comp=0 material=LaMnO3 twotheta=80 SPLITS=1 Detector: psd_mon_I=171164 +* %Example: lambda=2.5 directbeam=0 comp=1 material=LaMnO3 twotheta=80 SPLITS=1 Detector: Sph_mon_I=2.93457e+08 +* %Example: lambda=2.5 directbeam=0 comp=1 material=LaMnO3 twotheta=80 SPLITS=1 Detector: psd_mon_I=196096 +* %Example: lambda=2.5 directbeam=0 comp=2 material=LaMnO3 twotheta=80 SPLITS=1 Detector: Sph_mon_I=3.11548e+08 +* %Example: lambda=2.5 directbeam=0 comp=2 material=LaMnO3 twotheta=80 SPLITS=1 Detector: psd_mon_I=183894 +* %Example: lambda=2.5 directbeam=0 comp=3 material=LaMnO3 twotheta=80 SPLITS=1 Detector: Sph_mon_I=3.40544e+08 +* %Example: lambda=2.5 directbeam=0 comp=3 material=LaMnO3 twotheta=80 SPLITS=1 Detector: psd_mon_I=192638 +* %Example: lambda=2.5 directbeam=0 comp=0 material=NaCl twotheta=78 SPLITS=1 Detector: Sph_mon_I=2.1313e+08 +* %Example: lambda=2.5 directbeam=0 comp=0 material=NaCl twotheta=78 SPLITS=1 Detector: psd_mon_I=305947 +* %Example: lambda=2.5 directbeam=0 comp=1 material=NaCl twotheta=78 SPLITS=1 Detector: Sph_mon_I=2.35283e+08 +* %Example: lambda=2.5 directbeam=0 comp=1 material=NaCl twotheta=78 SPLITS=1 Detector: psd_mon_I=341363 +* %Example: lambda=2.5 directbeam=0 comp=2 material=NaCl twotheta=78 SPLITS=1 Detector: Sph_mon_I=2.49715e+08 +* %Example: lambda=2.5 directbeam=0 comp=2 material=NaCl twotheta=78 SPLITS=1 Detector: psd_mon_I=375832 +* %Example: lambda=2.5 directbeam=0 comp=3 material=NaCl twotheta=78 SPLITS=1 Detector: Sph_mon_I=2.69224e+08 +* %Example: lambda=2.5 directbeam=0 comp=3 material=NaCl twotheta=78 SPLITS=1 Detector: psd_mon_I=311818 * * %Parameters * comp: [1] 0=PowderN-with-NCMAT, 1=PowderN, 2=Single_crystal, 3=NCrystal diff --git a/mcstas-comps/samples/PowderN.comp b/mcstas-comps/samples/PowderN.comp index 36f6baf58..88aef02b8 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++) { @@ -1142,11 +1137,7 @@ 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 ();