Add basic functions to handle geom files

pyzebra/__init__.py

@@ -4,5 +4,6 @@ from pyzebra.ccl_process import *
 from pyzebra.h5 import *
 from pyzebra.utils import *
 from pyzebra.xtal import *
+from pyzebra.sxtal_refgen import *
 
 __version__ = "0.6.5"

pyzebra/sxtal_refgen.py

@@ -0,0 +1,90 @@
+import io
+
+SXTAL_REFGEN_PATH = "/afs/psi.ch/project/sinq/rhel7/bin/Sxtal_Refgen"
+
+_zebraBI_default_geom = """GEOM          2 Bissecting - HiCHI
+BLFR          z-up
+DIST_UNITS    mm
+ANGL_UNITS    deg
+DET_TYPE      Point  ipsd 1
+DIST_DET      488
+DIM_XY         1.0   1.0    1    1
+GAPS_DET       0  0
+
+SETTING       1 0 0   0 1 0   0 0 1
+NUM_ANG  4
+ANG_LIMITS         Min      Max    Offset
+        Gamma     2.0    60.5     0.00
+        Omega     0.0    120.0     0.00
+        Chi      80.0    210.0     0.00
+        Phi       0.0    360.0     0.00
+
+DET_OFF      0       0      0"""
+
+_zebraNB_default_geom = """!  File with an example of instrument SXTAL file
+!  Case of D3
+!
+INFO          Lifting arm diffractometer (hot neutrons)
+NAME          D3
+GEOM          3 Normal Beam
+BLFR          z-up
+DIST_UNITS    mm
+ANGL_UNITS    deg
+DET_TYPE      Point  ipsd 1
+DIST_DET      660
+DIM_XY         1.0   1.0    1    1
+GAPS_DET       0  0
+
+SETTING       1 0 0   0 1 0   0 0 1
+NUM_ANG  4
+ANG_LIMITS         Min      Max    Offset
+        Gamma     -1.5    128.     0.00
+        Omega   -180.0   180.0     0.00
+        Nu        -15      15     0.00
+        Phi        0.0     45.0     0.00
+
+DET_OFF      0       0      0"""
+
+
+def get_zebraBI_default_geom_file():
+    return io.StringIO(_zebraBI_default_geom)
+
+
+def get_zebraNB_default_geom_file():
+    return io.StringIO(_zebraNB_default_geom)
+
+
+def read_ang_limits(fileobj):
+    ang_lims = dict()
+    # locate angular limits in .geom text file
+    for line in fileobj:
+        if line.startswith("ANG_LIMITS"):
+            break
+
+    # read angular limits
+    for line in fileobj:
+        if not line or line.isspace():
+            break
+
+        ang, ang_min, ang_max, ang_offset = line.split()
+        ang_lims[ang.lower()] = [float(ang_min), float(ang_max), float(ang_offset)]
+
+    return ang_lims
+
+
+def export_geom(path, ang_lims):
+    if "chi" in ang_lims:  # BI geometry
+        default_file = get_zebraBI_default_geom_file()
+    else:  # NB geometry
+        default_file = get_zebraNB_default_geom_file()
+
+    with open(path, "w") as out_file:
+        for line in default_file:
+            out_file.write(line)
+
+            if line.startswith("ANG_LIMITS"):
+                for _ in range(4):
+                    next_line = next(default_file)
+                    ang, _, _, _ = next_line.split()
+                    vals = ang_lims[ang.lower()]
+                    out_file.write(f"{'':<8}{ang:<10}{vals[0]:<10}{vals[1]:<10}{vals[2]:<10}\n")