v1.0.0-rc.72

common/DiffractionExperiment.cpp

@@ -168,7 +168,7 @@ DiffractionExperiment &DiffractionExperiment::ZMQPreviewPeriod(const std::option
     return *this;
 }
 
-DiffractionExperiment &DiffractionExperiment::SpaceGroupNumber(int64_t input) {
+DiffractionExperiment &DiffractionExperiment::SpaceGroupNumber(std::optional<int64_t> input) {
     dataset.SpaceGroupNumber(input);
     return *this;
 }
@@ -518,7 +518,7 @@ std::string DiffractionExperiment::GetUnitCellString() const {
         return "-";
 }
 
-int64_t DiffractionExperiment::GetSpaceGroupNumber() const {
+std::optional<int64_t> DiffractionExperiment::GetSpaceGroupNumber() const {
     return dataset.GetSpaceGroupNumber();
 }
 
@@ -787,8 +787,9 @@ DiffractionExperiment::GetDetectorModuleConfig(const std::vector<AcquisitionDevi
     for (int d = 0; d < GetDataStreamsNum(); d++) {
         for (int m = 0; m < GetModulesNum(d); m++) {
             DetectorModuleConfig mod_cfg;
-            mod_cfg.udp_dest_port_1 = net_config[d].udp_port;
-            mod_cfg.udp_dest_port_2 = net_config[d].udp_port;
+            mod_cfg.data_stream = d;
+            mod_cfg.udp_dest_port_1 = 1024 + m;
+            mod_cfg.udp_dest_port_2 = 1024 + m;
             if (detector.GetUDPInterfaceCount() == 2) {
                 mod_cfg.ipv4_src_addr_1 = IPv4AddressToStr(GetSrcIPv4Address(d, 2 * m));
                 mod_cfg.ipv4_src_addr_2 = IPv4AddressToStr(GetSrcIPv4Address(d, 2 * m + 1));
@@ -1510,3 +1511,35 @@ DiffractionExperiment &DiffractionExperiment::GeomRefinementAlgorithm(GeomRefine
     indexing.GeomRefinementAlgorithm(input);
     return *this;
 }
+
+gemmi::CrystalSystem DiffractionExperiment::GetCrystalSystem() const {
+    auto sg = GetGemmiSpaceGroup();
+    if (!sg)
+        return gemmi::CrystalSystem::Monoclinic;
+
+    return sg->crystal_system();
+}
+
+std::string DiffractionExperiment::GetSpaceGroupName() const {
+    auto sg = GetGemmiSpaceGroup();
+    if (!sg)
+        return "";
+    return sg->short_name();
+}
+
+std::optional<gemmi::SpaceGroup> DiffractionExperiment::GetGemmiSpaceGroup() const {
+    auto sg = GetSpaceGroupNumber();
+    if (!sg)
+        return std::nullopt;
+    const gemmi::SpaceGroup *g = gemmi::find_spacegroup_by_number(sg.value());
+    if (g == nullptr)
+        return std::nullopt;
+    return *g;
+}
+
+char DiffractionExperiment::GetCentering() const {
+    auto sg = GetGemmiSpaceGroup();
+    if (!sg)
+        return 'P';
+    return sg->centring_type();
+}