From: toshinagata1964 <toshinagata1964@a2be9bc6-48de-4e38-9406-05402d4bc13c>
Date: Fri, 12 Sep 2014 11:11:21 +0000 (+0000)
Subject: Implement loading/saving of graphiobjects from/to mbsf files.
X-Git-Tag: v1.0.2~71
X-Git-Url: http://git.osdn.net/view?a=commitdiff_plain;h=d7798f32d0716020158e6c1eab864f5a8414c91b;p=molby%2FMolby.git

Implement loading/saving of graphiobjects from/to mbsf files.

git-svn-id: svn+ssh://svn.sourceforge.jp/svnroot/molby/trunk@570 a2be9bc6-48de-4e38-9406-05402d4bc13c
---

diff --git a/MolLib/Molecule.c b/MolLib/Molecule.c
index 441eaa1..043b4c1 100755
--- a/MolLib/Molecule.c
+++ b/MolLib/Molecule.c
@@ -1602,15 +1602,23 @@ MoleculeLoadMbsfFile(Molecule *mp, const char *fname, char **errbuf)
 					continue;
 				if (buf[0] == '\n')
 					break;
+				if (mp->mview == NULL || mp->mview->track == NULL)
+					continue;  /*  Skip (this should not happen though)  */
 				/* scale; trx try trz; theta_deg x y z */
-				if ((i == 0 && sscanf(buf, "%lf", &mview_dbuf[0]) < 1)
+				if ((i == 0 && sscanf(buf, "%lf", &dbuf[0]) < 1)
 					|| (i == 1 && sscanf(buf, "%lf %lf %lf",
-										 &mview_dbuf[1], &mview_dbuf[2], &mview_dbuf[3]) < 3)
+										 &dbuf[1], &dbuf[2], &dbuf[3]) < 3)
 					|| (i == 2 && sscanf(buf, "%lf %lf %lf %lf",
-										 &mview_dbuf[4], &mview_dbuf[5], &mview_dbuf[6], &mview_dbuf[7]) < 4)) {
+										 &dbuf[4], &dbuf[5], &dbuf[6], &dbuf[7]) < 4)) {
 					s_append_asprintf(errbuf, "line %d: bad trackball format", lineNumber);
 					goto err_exit;
 				}
+				if (i == 0)
+					TrackballSetScale(mp->mview->track, dbuf[0]);
+				else if (i == 1)
+					TrackballSetTranslate(mp->mview->track, dbuf + 1);
+				else if (i == 2)
+					TrackballSetRotate(mp->mview->track, dbuf + 4);
 				i++;
 			}
 			continue;
@@ -1620,6 +1628,8 @@ MoleculeLoadMbsfFile(Molecule *mp, const char *fname, char **errbuf)
 					continue;
 				if (buf[0] == '\n')
 					break;
+				if (mp->mview == NULL)
+					continue;  /*  Skip (this should not happen, though)  */
 				bufp = buf;
 				comp = strsep(&bufp, " \t");
 				if (bufp != NULL) {
@@ -1627,27 +1637,40 @@ MoleculeLoadMbsfFile(Molecule *mp, const char *fname, char **errbuf)
 						bufp++;
 					valp = strsep(&bufp, "\n");
 				} else valp = NULL;
-				/*  In the following, the redundant "!= NULL" is to suppress suprious warning  */
-				if ((strcmp(comp, "show_unit_cell") == 0 && (i = 1))
-					|| (strcmp(comp, "show_periodic_box") == 0 && (i = 2))
-					|| (strcmp(comp, "show_expanded_atoms") == 0 && (i = 3))
-					|| (strcmp(comp, "show_ellipsoids") == 0 && (i = 4))
-					|| (strcmp(comp, "show_hydrogens") == 0 && (i = 5))
-					|| (strcmp(comp, "show_dummy_atoms") == 0 && (i = 6))
-					|| (strcmp(comp, "show_rotation_center") == 0 && (i = 7))
-					|| (strcmp(comp, "show_graphite_flag") == 0 && (i = 8))
-					|| (strcmp(comp, "show_periodic_image_flag") == 0 && (i = 9))
-					|| (strcmp(comp, "show_graphite") == 0 && (i = 10))
-					|| (strcmp(comp, "atom_resolution") == 0 && (i = 11))
-					|| (strcmp(comp, "bond_resolution") == 0 && (i = 12))) {
-					mview_ibuf[i - 1] = atoi(valp);
-				} else if ((strcmp(comp, "atom_radius") == 0 && (i = 8))
-					|| (strcmp(comp, "bond_radius") == 0 && (i = 9))) {
-					mview_dbuf[i] = strtod(valp, NULL);
-				} else if (strcmp(comp, "show_periodic_image") == 0) {
-					sscanf(valp, "%d %d %d %d %d %d",
-						   &mview_ibuf[12], &mview_ibuf[13], &mview_ibuf[14],
-						   &mview_ibuf[15], &mview_ibuf[16], &mview_ibuf[17]);
+				if (strcmp(comp, "show_unit_cell") == 0)
+					mp->mview->showUnitCell = atoi(valp);
+				else if (strcmp(comp, "show_periodic_box") == 0)
+					mp->mview->showPeriodicBox = atoi(valp);
+				else if (strcmp(comp, "show_expanded_atoms") == 0)
+					mp->mview->showExpandedAtoms = atoi(valp);
+				else if (strcmp(comp, "show_ellipsoids") == 0)
+					mp->mview->showEllipsoids = atoi(valp);
+				else if (strcmp(comp, "show_hydrogens") == 0)
+					mp->mview->showHydrogens = atoi(valp);
+				else if (strcmp(comp, "show_dummy_atoms") == 0)
+					mp->mview->showDummyAtoms = atoi(valp);
+				else if (strcmp(comp, "show_rotation_center") == 0)
+					mp->mview->showRotationCenter = atoi(valp);
+				else if (strcmp(comp, "show_graphite_flag") == 0)
+					mp->mview->showGraphiteFlag = atoi(valp);
+				else if (strcmp(comp, "show_periodic_image_flag") == 0)
+					mp->mview->showPeriodicImageFlag = atoi(valp);
+				else if (strcmp(comp, "show_graphite") == 0)
+					mp->mview->showGraphite = atoi(valp);
+				else if (strcmp(comp, "show_expanded_atoms") == 0)
+					mp->mview->showExpandedAtoms = atoi(valp);
+				else if (strcmp(comp, "atom_resolution") == 0 && (i = atoi(valp)) >= 6)
+					mp->mview->atomResolution = i;
+				else if (strcmp(comp, "bond_resolution") == 0 && (i = atoi(valp)) >= 4)
+					mp->mview->bondResolution = i;
+				else if (strcmp(comp, "atom_radius") == 0)
+					mp->mview->atomRadius = strtod(valp, NULL);
+				else if (strcmp(comp, "bond_radius") == 0)
+					mp->mview->bondRadius = strtod(valp, NULL);
+				else if (strcmp(comp, "show_periodic_image") == 0) {
+					sscanf(valp, "%d %d %d %d %d %d", &ibuf[0], &ibuf[1], &ibuf[2], &ibuf[3], &ibuf[4], &ibuf[5]);
+					for (i = 0; i < 6; i++)
+						mp->mview->showPeriodicImage[i] = ibuf[i];
 				}
 			}
 			continue;
@@ -1826,6 +1849,121 @@ MoleculeLoadMbsfFile(Molecule *mp, const char *fname, char **errbuf)
 				i = ibuf[0] + 1;  /*  For next entry  */
 			}
 			continue;
+		} else if (strcmp(buf, "!:graphics") == 0) {
+			while (ReadLine(buf, sizeof buf, fp, &lineNumber) > 0) {
+				MainViewGraphic *gp = NULL;
+				if (buf[0] == '!')
+					continue;
+				if (buf[0] == '\n')
+					break;
+				if (mp->mview == NULL)
+					continue;  /*  Skip  */
+				if (strcmp(buf, "line\n") == 0) {
+					ibuf[0] = kMainViewGraphicLine;
+				} else if (strcmp(buf, "poly\n") == 0) {
+					ibuf[0] = kMainViewGraphicPoly;
+				} else if (strcmp(buf, "cylinder\n") == 0) {
+					ibuf[0] = kMainViewGraphicCylinder;
+				} else if (strcmp(buf, "cone\n") == 0) {
+					ibuf[0] = kMainViewGraphicCone;
+				} else if (strcmp(buf, "ellipsoid\n") == 0) {
+					ibuf[0] = kMainViewGraphicEllipsoid;
+				} else {
+					continue;  /*  Skip  */
+				}
+				gp = (MainViewGraphic *)calloc(sizeof(MainViewGraphic), 1);
+				gp->kind = ibuf[0];
+				i = 0;
+				while (ReadLine(buf, sizeof buf, fp, &lineNumber) > 0) {
+					if (buf[0] == '!')
+						continue;
+					if (buf[0] == '\n')
+						break;
+					if (i == 0) {
+						if (sscanf(buf, "%d %d", &ibuf[0], &ibuf[1]) < 2) {
+							s_append_asprintf(errbuf, "line %d: the closed/visible flags cannot be read for graphic object", lineNumber);
+							goto err_exit;
+						}
+						gp->closed = ibuf[0];
+						gp->visible = ibuf[1];
+					} else if (i == 1) {
+						if (sscanf(buf, "%lf %lf %lf %lf", &dbuf[0], &dbuf[1], &dbuf[2], &dbuf[3]) < 4) {
+							s_append_asprintf(errbuf, "line %d: the color cannot be read for graphic object", lineNumber);
+							goto err_exit;
+						}
+						for (j = 0; j < 4; j++)
+							gp->rgba[j] = dbuf[j];
+					} else if (i == 2) {
+						j = atoi(buf);
+						if (j < 0) {
+							s_append_asprintf(errbuf, "line %d: the number of control points must be non-negative", lineNumber);
+							goto err_exit;
+						}
+						if (j > 0)
+							NewArray(&gp->points, &gp->npoints, sizeof(GLfloat) * 3, j);
+					} else if (i >= 3 && i < gp->npoints + 3) {
+						if (sscanf(buf, "%lf %lf %lf", &dbuf[0], &dbuf[1], &dbuf[2]) < 3) {
+							s_append_asprintf(errbuf, "line %d: the control point cannot be read for graphic object", lineNumber);
+							goto err_exit;
+						}
+						j = (i - 3) * 3;
+						gp->points[j++] = dbuf[0];
+						gp->points[j++] = dbuf[1];
+						gp->points[j] = dbuf[2];
+					} else if (i == gp->npoints + 3) {
+						j = atoi(buf);
+						if (j < 0) {
+							s_append_asprintf(errbuf, "line %d: the number of normals must be non-negative", lineNumber);
+							goto err_exit;
+						}
+						if (j > 0)
+							NewArray(&gp->normals, &gp->nnormals, sizeof(GLfloat) * 3, j);
+					} else if (i >= gp->npoints + 3 && i < gp->npoints + gp->nnormals + 3) {
+						if (sscanf(buf, "%lf %lf %lf", &dbuf[0], &dbuf[1], &dbuf[2]) < 3) {
+							s_append_asprintf(errbuf, "line %d: the normal vector cannot be read for graphic object", lineNumber);
+							goto err_exit;
+						}
+						j = (i - gp->npoints - 3) * 3;
+						gp->normals[j++] = dbuf[0];
+						gp->normals[j++] = dbuf[1];
+						gp->normals[j] = dbuf[2];
+					} else break;
+					i++;
+				}
+				MainView_insertGraphic(mp->mview, -1, gp);
+				free(gp);
+				if (buf[0] == '\n')
+					break;
+			}
+			continue;
+		} else if (strncmp(buf, "!:@", 3) == 0) {
+			/*  Plug-in implemented in the ruby world  */
+			Int stringLen;
+			char *stringBuf, *returnString;
+			i = strlen(buf);
+			NewArray(&stringBuf, &stringLen, sizeof(char), i + 1);
+			strcpy(stringBuf, buf);
+			k = lineNumber;
+			while (ReadLine(buf, sizeof buf, fp, &lineNumber) > 0) {
+				/*  The comment lines are _not_ skipped  */
+				if (buf[0] == '\n')
+					break;
+				j = strlen(buf);
+				AssignArray(&stringBuf, &stringLen, sizeof(char), i + j, NULL);
+				strncpy(stringBuf + i, buf, j);
+				i += j;
+			}
+			if (MolActionCreateAndPerform(mp, SCRIPT_ACTION("si;s"),
+										  "proc { |i| loadmbsf_plugin(i) rescue \"line #{i}: #{$i.to_s}\" }",
+										  stringBuf, k, &returnString) != 0) {
+				s_append_asprintf(errbuf, "line %d: cannot invoke Ruby plugin", lineNumber);
+				goto err_exit;
+			} else if (returnString[0] != 0) {
+				s_append_asprintf(errbuf, "%s", returnString);
+				goto err_exit;
+			}
+			free(stringBuf);
+			continue;
 		}
 		/*  Unknown sections are silently ignored  */
 	}
@@ -1835,7 +1973,8 @@ MoleculeLoadMbsfFile(Molecule *mp, const char *fname, char **errbuf)
 		md_arena_set_molecule(mp->arena, mp);
 
 	fclose(fp);
-	if (mp->mview != NULL) {
+
+/*	if (mp->mview != NULL) {
 		if (mview_ibuf[0] != kUndefined)
 			mp->mview->showUnitCell = mview_ibuf[0];
 		if (mview_ibuf[1] != kUndefined)
@@ -1877,6 +2016,7 @@ MoleculeLoadMbsfFile(Molecule *mp, const char *fname, char **errbuf)
 				TrackballSetRotate(mp->mview->track, mview_dbuf + 4);
 		}
 	}
+*/
 
 	return 0;
 
@@ -4568,6 +4708,47 @@ MoleculeWriteToMbsfFile(Molecule *mp, const char *fname, char **errbuf)
 		}
 		fprintf(fp, "\n");
 	}
+
+	if (mp->mview != NULL && mp->mview->ngraphics > 0) {
+		MainViewGraphic *gp;
+		fprintf(fp, "!:graphics\n");
+		for (i = 0; i < mp->mview->ngraphics; i++) {
+			gp = mp->mview->graphics + i;
+			switch (gp->kind) {
+				case kMainViewGraphicLine: fprintf(fp, "line\n"); break;
+				case kMainViewGraphicPoly: fprintf(fp, "poly\n"); break;
+				case kMainViewGraphicCylinder: fprintf(fp, "cylinder\n"); break;
+				case kMainViewGraphicCone: fprintf(fp, "cone\n"); break;
+				case kMainViewGraphicEllipsoid: fprintf(fp, "ellipsoid\n"); break;
+				default: fprintf(fp, "unknown\n"); break;
+			}
+			fprintf(fp, "%d %d\n", gp->closed, gp->visible);
+			fprintf(fp, "%.4f %.4f %.4f %.4f\n", gp->rgba[0], gp->rgba[1], gp->rgba[2], gp->rgba[3]);
+			fprintf(fp, "%d\n", gp->npoints);
+			for (j = 0; j < gp->npoints; j++)
+				fprintf(fp, "%.6f %.6f %.6f\n", gp->points[j * 3], gp->points[j * 3 + 1], gp->points[j * 3 + 2]);
+			fprintf(fp, "%d\n", gp->nnormals);
+			for (j = 0; j < gp->nnormals; j++)
+				fprintf(fp, "%.6f %.6f %.6f\n", gp->normals[j * 3], gp->normals[j * 3 + 1], gp->normals[j * 3 + 2]);
+		}
+		fprintf(fp, "\n");
+	}
+	
+	/*  Plug-in in the Ruby world  */
+	{
+		char *outMessage;
+		if (MolActionCreateAndPerform(mp, SCRIPT_ACTION(";s"),
+									  "proc { savembsf_plugin rescue \"Plug-in error: #{$!.to_s}\" }", &outMessage) == 0) {
+			if (outMessage[0] != 0) {
+				if (strncmp(outMessage, "Plug-in", 7) == 0) {
+					s_append_asprintf(errbuf, "%s", outMessage);
+				} else {
+					fprintf(fp, "%s\n", outMessage);
+				}
+			}
+			free(outMessage);
+		}
+	}
 	
 	fclose(fp);
 	return 0;
diff --git a/MolLib/Ruby_bind/ruby_bind.c b/MolLib/Ruby_bind/ruby_bind.c
index b960b1f..72fde31 100644
--- a/MolLib/Ruby_bind/ruby_bind.c
+++ b/MolLib/Ruby_bind/ruby_bind.c
@@ -4960,11 +4960,11 @@ s_Molecule_Equal(VALUE self, VALUE val)
 #pragma mark ------ Load/Save ------
 
 static void
-s_Molecule_RaiseOnLoadSave(int status, const char *msg, const char *fname)
+s_Molecule_RaiseOnLoadSave(int status, int isloading, const char *msg, const char *fname)
 {
 	if (gLoadSaveErrorMessage != NULL) {
 		MyAppCallback_setConsoleColor(1);
-		MyAppCallback_showScriptMessage("On loading %s:\n%s\n", fname, gLoadSaveErrorMessage);
+		MyAppCallback_showScriptMessage("On %s %s:\n%s\n", (isloading ? "loading" : "saving"), fname, gLoadSaveErrorMessage);
 		MyAppCallback_setConsoleColor(0);
 	}
 	if (status != 0)
@@ -4990,7 +4990,7 @@ s_Molecule_Loadmbsf(int argc, VALUE *argv, VALUE self)
 	rb_scan_args(argc, argv, "1", &fname);
 	fstr = FileStringValuePtr(fname);
 	retval = MoleculeLoadMbsfFile(mol, fstr, &gLoadSaveErrorMessage);
-	s_Molecule_RaiseOnLoadSave(retval, "Failed to load mbsf", fstr);
+	s_Molecule_RaiseOnLoadSave(retval, 1, "Failed to load mbsf", fstr);
 	return Qtrue;	
 }
 
@@ -5017,13 +5017,13 @@ s_Molecule_Loadpsf(int argc, VALUE *argv, VALUE self)
 	rb_scan_args(argc, argv, "11", &fname, &pdbname);
 	fstr = FileStringValuePtr(fname);
 	retval = MoleculeLoadPsfFile(mol, fstr, &gLoadSaveErrorMessage);
-	s_Molecule_RaiseOnLoadSave(retval, "Failed to load psf", fstr);
+	s_Molecule_RaiseOnLoadSave(retval, 1, "Failed to load psf", fstr);
 	pdbstr = NULL;
 	if (!NIL_P(pdbname)) {
 		pdbstr = strdup(FileStringValuePtr(pdbname));
 		retval = MoleculeReadCoordinatesFromPdbFile(mol, pdbstr, &gLoadSaveErrorMessage);
 		free(pdbstr);
-		s_Molecule_RaiseOnLoadSave(retval, "Failed to load coordinates from pdb", pdbstr);
+		s_Molecule_RaiseOnLoadSave(retval, 1, "Failed to load coordinates from pdb", pdbstr);
 	}
 	return Qtrue;
 }
@@ -5048,7 +5048,7 @@ s_Molecule_Loadpdb(int argc, VALUE *argv, VALUE self)
 	MoleculeClearLoadSaveErrorMessage();
 	fstr = FileStringValuePtr(fname);
 	retval = MoleculeReadCoordinatesFromPdbFile(mol, fstr, &gLoadSaveErrorMessage);
-	s_Molecule_RaiseOnLoadSave(retval, "Failed to load pdb", fstr);
+	s_Molecule_RaiseOnLoadSave(retval, 1, "Failed to load pdb", fstr);
 	return Qtrue;	
 }
 
@@ -5071,7 +5071,7 @@ s_Molecule_Loaddcd(int argc, VALUE *argv, VALUE self)
 	MoleculeClearLoadSaveErrorMessage();
 	fstr = FileStringValuePtr(fname);
 	retval = MoleculeReadCoordinatesFromDcdFile(mol, fstr, &gLoadSaveErrorMessage);
-	s_Molecule_RaiseOnLoadSave(retval, "Failed to load dcd", fstr);
+	s_Molecule_RaiseOnLoadSave(retval, 1, "Failed to load dcd", fstr);
 	return Qtrue;	
 }
 
@@ -5094,7 +5094,7 @@ s_Molecule_Loadtep(int argc, VALUE *argv, VALUE self)
 	MoleculeClearLoadSaveErrorMessage();
 	fstr = FileStringValuePtr(fname);
 	retval = MoleculeLoadTepFile(mol, fstr, &gLoadSaveErrorMessage);
-	s_Molecule_RaiseOnLoadSave(retval, "Failed to load ORTEP file", fstr);
+	s_Molecule_RaiseOnLoadSave(retval, 1, "Failed to load ORTEP file", fstr);
 	return Qtrue;	
 }
 
@@ -5117,7 +5117,7 @@ s_Molecule_Loadres(int argc, VALUE *argv, VALUE self)
 	MoleculeClearLoadSaveErrorMessage();
 	fstr = FileStringValuePtr(fname);
 	retval = MoleculeLoadShelxFile(mol, fstr, &gLoadSaveErrorMessage);
-	s_Molecule_RaiseOnLoadSave(retval, "Failed to load SHELX res file", fstr);
+	s_Molecule_RaiseOnLoadSave(retval, 1, "Failed to load SHELX res file", fstr);
 	return Qtrue;	
 }
 
@@ -5140,7 +5140,7 @@ s_Molecule_Loadfchk(int argc, VALUE *argv, VALUE self)
 	MoleculeClearLoadSaveErrorMessage();
 	fstr = FileStringValuePtr(fname);
 	retval = MoleculeLoadGaussianFchkFile(mol, fstr, &gLoadSaveErrorMessage);
-	s_Molecule_RaiseOnLoadSave(retval, "Failed to load Gaussian fchk", fstr);
+	s_Molecule_RaiseOnLoadSave(retval, 1, "Failed to load Gaussian fchk", fstr);
 	return Qtrue;	
 }
 
@@ -5165,7 +5165,7 @@ s_Molecule_Loaddat(int argc, VALUE *argv, VALUE self)
 	MyAppCallback_showProgressPanel("Loading GAMESS dat file...");
 	retval = MoleculeLoadGamessDatFile(mol, fstr, &gLoadSaveErrorMessage);
 	MyAppCallback_hideProgressPanel();
-	s_Molecule_RaiseOnLoadSave(retval, "Failed to load GAMESS dat", fstr);
+	s_Molecule_RaiseOnLoadSave(retval, 1, "Failed to load GAMESS dat", fstr);
 	return Qtrue;	
 }
 
@@ -5185,7 +5185,7 @@ s_Molecule_Savembsf(VALUE self, VALUE fname)
 	MoleculeClearLoadSaveErrorMessage();
 	fstr = FileStringValuePtr(fname);
 	retval = MoleculeWriteToMbsfFile(mol, fstr, &gLoadSaveErrorMessage);
-	s_Molecule_RaiseOnLoadSave(retval, "Failed to save mbsf", fstr);
+	s_Molecule_RaiseOnLoadSave(retval, 0, "Failed to save mbsf", fstr);
 	return Qtrue;
 }
 
@@ -5205,7 +5205,7 @@ s_Molecule_Savepsf(VALUE self, VALUE fname)
 	MoleculeClearLoadSaveErrorMessage();
 	fstr = FileStringValuePtr(fname);
 	retval = MoleculeWriteToPsfFile(mol, fstr, &gLoadSaveErrorMessage);
-	s_Molecule_RaiseOnLoadSave(retval, "Failed to save psf", fstr);
+	s_Molecule_RaiseOnLoadSave(retval, 0, "Failed to save psf", fstr);
 	return Qtrue;
 }
 
@@ -5225,7 +5225,7 @@ s_Molecule_Savepdb(VALUE self, VALUE fname)
 	MoleculeClearLoadSaveErrorMessage();
 	fstr = FileStringValuePtr(fname);
 	retval = MoleculeWriteToPdbFile(mol, fstr, &gLoadSaveErrorMessage);
-	s_Molecule_RaiseOnLoadSave(retval, "Failed to save pdb", fstr);
+	s_Molecule_RaiseOnLoadSave(retval, 0, "Failed to save pdb", fstr);
 	return Qtrue;
 }
 
@@ -5245,7 +5245,7 @@ s_Molecule_Savedcd(VALUE self, VALUE fname)
 	MoleculeClearLoadSaveErrorMessage();
 	fstr = FileStringValuePtr(fname);
 	retval = MoleculeWriteToDcdFile(mol, fstr, &gLoadSaveErrorMessage);
-	s_Molecule_RaiseOnLoadSave(retval, "Failed to save dcd", fstr);
+	s_Molecule_RaiseOnLoadSave(retval, 0, "Failed to save dcd", fstr);
 	return Qtrue;
 }
 
@@ -5320,7 +5320,7 @@ s_Molecule_LoadSave(int argc, VALUE *argv, VALUE self, int loadFlag)
 failure:
 	rval = rb_str_to_str(argv[0]);
 	asprintf(&p, "Failed to %s file %s", (loadFlag ? "load" : "save"), type);
-	s_Molecule_RaiseOnLoadSave(1, p, StringValuePtr(rval));
+	s_Molecule_RaiseOnLoadSave(1, loadFlag, p, StringValuePtr(rval));
 	return Qnil;  /*  Does not reach here  */
 
 success:
@@ -9623,55 +9623,185 @@ s_Molecule_NGraphics(VALUE self)
 		rb_raise(rb_eMolbyError, "this molecule has no associated graphic view");
 	return INT2NUM(mol->mview->ngraphics);
 }
-	
+
 /*
  *  call-seq:
- *     set_graphic_point(graphic_index, point_index, new_value) -> new_value
+ *     get_graphic_point(graphic_index, point_index) -> value
+ *     get_graphic_points(graphic_index) -> values
  *
- *  Change the point_index-th control point of graphic_index-th graphic object
+ *  Get the point_index-th control point of graphic_index-th graphic object.
+ *  Get an array of all control points with the given values.
  *   
  */
 static VALUE
-s_Molecule_SetGraphicPoint(VALUE self, VALUE gval, VALUE pval, VALUE nval)
+s_Molecule_GetGraphicPoint(int argc, VALUE *argv, VALUE self)
 {
 	MainViewGraphic *gp;
     Molecule *mol;
-	int index;
+	int index, pindex;
 	Vector v;
+	VALUE gval, pval;
     Data_Get_Struct(self, Molecule, mol);
 	if (mol->mview == NULL)
 		rb_raise(rb_eMolbyError, "this molecule has no associated graphic view");
+	rb_scan_args(argc, argv, "11", &gval, &pval);
 	index = NUM2INT(rb_Integer(gval));
 	if (index < 0 || index >= mol->mview->ngraphics)
 		rb_raise(rb_eArgError, "the graphic index is out of range");
 	gp = mol->mview->graphics + index;
-	index = NUM2INT(rb_Integer(pval));
-	if (index < 0 || index >= gp->npoints)
-		rb_raise(rb_eArgError, "the point index is out of range");
-	if (rb_obj_is_kind_of(nval, rb_cNumeric)) {
-		if ((gp->kind == kMainViewGraphicCylinder || gp->kind == kMainViewGraphicCone) && index == 2) {
-			v.x = NUM2DBL(rb_Float(nval));
-			v.y = v.z = 0;
-		} else if (gp->kind == kMainViewGraphicEllipsoid && index == 1) {
-			gp->points[3] = gp->points[7] = gp->points[11] = NUM2DBL(rb_Float(nval));
-			gp->points[4] = gp->points[5] = gp->points[6] = gp->points[8] = gp->points[9] = gp->points[10] = 0;
-			return nval;
-		} else rb_raise(rb_eArgError, "the argument must be an array-like object");
+	if (pval != Qnil) {
+		pindex = NUM2INT(rb_Integer(pval));
+		if (pindex < 0 || pindex >= gp->npoints)
+			rb_raise(rb_eArgError, "the point index is out of range");
+		v.x = gp->points[pindex * 3];
+		v.y = gp->points[pindex * 3 + 1];
+		v.z = gp->points[pindex * 3 + 2];
+		if ((gp->kind == kMainViewGraphicCylinder || gp->kind == kMainViewGraphicCone) && pindex == 2) {
+			return rb_float_new(v.x);
+		} else {
+			return ValueFromVector(&v);
+		}
+	} else {
+		pval = rb_ary_new();
+		for (pindex = 0; pindex < gp->npoints; pindex++) {
+			v.x = gp->points[pindex * 3];
+			v.y = gp->points[pindex * 3 + 1];
+			v.z = gp->points[pindex * 3 + 2];
+			rb_ary_push(pval, ValueFromVector(&v));
+		}
+		return pval;
+	}
+}
+
+/*
+ *  call-seq:
+ *     set_graphic_point(graphic_index, point_index, new_value) -> new_value
+ *     set_graphic_points(graphic_index, new_values) -> new_values
+ *
+ *  Change the point_index-th control point of graphic_index-th graphic object.
+ *  Replace the control points with the given values.
+ *   
+ */
+static VALUE
+s_Molecule_SetGraphicPoint(int argc, VALUE *argv, VALUE self)
+{
+	MainViewGraphic *gp;
+    Molecule *mol;
+	int index, pindex;
+	Vector v, v0;
+	VALUE gval, pval, nval;
+	MolAction *act;
+    Data_Get_Struct(self, Molecule, mol);
+	if (mol->mview == NULL)
+		rb_raise(rb_eMolbyError, "this molecule has no associated graphic view");
+	rb_scan_args(argc, argv, "21", &gval, &pval, &nval);
+	index = NUM2INT(rb_Integer(gval));
+	if (index < 0 || index >= mol->mview->ngraphics)
+		rb_raise(rb_eArgError, "the graphic index is out of range");
+	gp = mol->mview->graphics + index;
+	if (nval != Qnil) {
+		pindex = NUM2INT(rb_Integer(pval));
+		if (pindex < 0 || pindex >= gp->npoints)
+			rb_raise(rb_eArgError, "the point index is out of range");
+		v0.x = gp->points[pindex * 3];
+		v0.y = gp->points[pindex * 3 + 1];
+		v0.z = gp->points[pindex * 3 + 2];
+		if (rb_obj_is_kind_of(nval, rb_cNumeric)) {
+			if ((gp->kind == kMainViewGraphicCylinder || gp->kind == kMainViewGraphicCone) && pindex == 2) {
+				v.x = NUM2DBL(rb_Float(nval));
+				v.y = v.z = 0;
+			} else if (gp->kind == kMainViewGraphicEllipsoid && pindex == 1) {
+				v.x = NUM2DBL(rb_Float(nval));
+				v.y = v.z = 0;
+				gp->points[7] = gp->points[11] = v.x;
+				gp->points[6] = gp->points[8] = gp->points[9] = gp->points[10] = 0;
+			} else rb_raise(rb_eArgError, "the argument must be an array-like object");
+		} else {
+			if (nval == Qnil) {
+				v.x = kInvalidFloat;
+				v.y = v.z = 0.0;
+			} else VectorFromValue(nval, &v);
+		}
+		gp->points[pindex * 3] = v.x;
+		gp->points[pindex * 3 + 1] = v.y;
+		gp->points[pindex * 3 + 2] = v.z;
+		act = MolActionNew(SCRIPT_ACTION("iiv"), "set_graphic_point", index, pindex, &v0);
 	} else {
-		if (nval == Qnil) {
-			v.x = kInvalidFloat;
-			v.y = v.z = 0.0;
-		} else VectorFromValue(nval, &v);
-	}
-	gp->points[index * 3] = v.x;
-	gp->points[index * 3 + 1] = v.y;
-	gp->points[index * 3 + 2] = v.z;
+		VALUE aval;
+		int len;
+		Vector *vp = (Vector *)malloc(sizeof(Vector) * gp->npoints);
+		for (pindex = 0; pindex < gp->npoints; pindex++) {
+			vp[pindex].x = gp->points[pindex * 3];
+			vp[pindex].y = gp->points[pindex * 3 + 1];
+			vp[pindex].z = gp->points[pindex * 3 + 2];
+		}
+		act = MolActionNew(SCRIPT_ACTION("iV"), "set_graphic_points", index, gp->npoints, vp);
+		free(vp);
+		pval = rb_ary_to_ary(pval);
+		len = RARRAY_LEN(pval);
+		if (gp->npoints < len) {
+			gp->points = (GLfloat *)realloc(gp->points, sizeof(GLfloat) * 3 * len);
+			gp->npoints = len;
+		} else if (gp->npoints > len) {
+			int len2 = 3;
+			switch (gp->kind) {
+				case kMainViewGraphicLine: len2 = 2; break;
+				case kMainViewGraphicPoly: len2 = 3; break;
+				case kMainViewGraphicCylinder: len2 = 3; break;
+				case kMainViewGraphicCone: len2 = 3; break;
+				case kMainViewGraphicEllipsoid: len2 = 4; break;
+			}
+			if (len2 < len)
+				len2 = len;
+			gp->npoints = len2;
+		}
+		for (pindex = 0; pindex < len && pindex < gp->npoints; pindex++) {
+			aval = RARRAY_PTR(pval)[pindex];
+			if ((gp->kind == kMainViewGraphicCylinder || gp->kind == kMainViewGraphicCone) && pindex == 2) {
+				v.x = NUM2DBL(rb_Float(aval));
+				v.y = v.z = 0;
+			} else if (gp->kind == kMainViewGraphicEllipsoid && pindex == 1 && len == 2) {
+				v.x = NUM2DBL(rb_Float(aval));
+				v.y = v.z = 0;
+				gp->points[7] = gp->points[11] = v.x;
+				gp->points[6] = gp->points[8] = gp->points[9] = gp->points[10] = 0;
+				break;
+			} else VectorFromValue(aval, &v);
+			gp->points[pindex * 3] = v.x;
+			gp->points[pindex * 3 + 1] = v.y;
+			gp->points[pindex * 3 + 2] = v.z;
+		}
+	}
+	MolActionCallback_registerUndo(mol, act);
+	MolActionRelease(act);		
 	MoleculeCallback_notifyModification(mol, 0);
 	return nval;
 }
 
 /*
  *  call-seq:
+ *     get_graphic_color(graphic_index) -> value
+ *
+ *  Get the color of graphic_index-th graphic object
+ */
+static VALUE
+s_Molecule_GetGraphicColor(VALUE self, VALUE gval)
+{
+	MainViewGraphic *gp;
+    Molecule *mol;
+	int index;
+    Data_Get_Struct(self, Molecule, mol);
+	if (mol->mview == NULL)
+		rb_raise(rb_eMolbyError, "this molecule has no associated graphic view");
+	index = NUM2INT(rb_Integer(gval));
+	if (index < 0 || index >= mol->mview->ngraphics)
+		rb_raise(rb_eArgError, "the graphic index is out of range");
+	gp = mol->mview->graphics + index;
+	return rb_ary_new3(4, rb_float_new(gp->rgba[0]), rb_float_new(gp->rgba[1]), rb_float_new(gp->rgba[2]), rb_float_new(gp->rgba[3]));
+}
+
+/*
+ *  call-seq:
  *     set_graphic_color(graphic_index, new_value) -> new_value
  *
  *  Change the color of graphic_index-th graphic object
@@ -9682,7 +9812,9 @@ s_Molecule_SetGraphicColor(VALUE self, VALUE gval, VALUE cval)
 {
 	MainViewGraphic *gp;
     Molecule *mol;
-	int index, n;
+	MolAction *act;
+	double c[4];
+	int index, i, n;
     Data_Get_Struct(self, Molecule, mol);
 	if (mol->mview == NULL)
 		rb_raise(rb_eMolbyError, "this molecule has no associated graphic view");
@@ -9690,15 +9822,21 @@ s_Molecule_SetGraphicColor(VALUE self, VALUE gval, VALUE cval)
 	if (index < 0 || index >= mol->mview->ngraphics)
 		rb_raise(rb_eArgError, "the graphic index is out of range");
 	gp = mol->mview->graphics + index;
+	for (i = 0; i < 4; i++)
+		c[i] = gp->rgba[i];
 	cval = rb_ary_to_ary(cval);
 	n = RARRAY_LEN(cval);
 	if (n != 3 && n != 4)
 		rb_raise(rb_eArgError, "the color argument must have 3 or 4 numbers");
-	for (index = 0; index < n; index++) {
-		gp->rgba[index] = NUM2DBL(rb_Float(RARRAY_PTR(cval)[index]));
+
+	for (i = 0; i < n; i++) {
+		gp->rgba[i] = NUM2DBL(rb_Float(RARRAY_PTR(cval)[i]));
 	}
 	if (n == 3)
 		gp->rgba[3] = 1.0;
+	act = MolActionNew(SCRIPT_ACTION("iD"), "set_graphic_color", index, 4, c);
+	MolActionCallback_registerUndo(mol, act);
+	MolActionRelease(act);		
 	MoleculeCallback_notifyModification(mol, 0);
 	return cval;
 }
@@ -11389,7 +11527,11 @@ Init_Molby(void)
 	rb_define_method(rb_cMolecule, "create_graphic", s_Molecule_CreateGraphic, -1);
 	rb_define_method(rb_cMolecule, "remove_graphic", s_Molecule_RemoveGraphic, 1);
 	rb_define_method(rb_cMolecule, "ngraphics", s_Molecule_NGraphics, 0);
-	rb_define_method(rb_cMolecule, "set_graphic_point", s_Molecule_SetGraphicPoint, 3);
+	rb_define_method(rb_cMolecule, "get_graphic_point", s_Molecule_GetGraphicPoint, -1);
+	rb_define_method(rb_cMolecule, "set_graphic_point", s_Molecule_SetGraphicPoint, -1);
+	rb_define_alias(rb_cMolecule, "get_graphic_points", "get_graphic_point");
+	rb_define_alias(rb_cMolecule, "set_graphic_points", "set_graphic_point");
+	rb_define_method(rb_cMolecule, "get_graphic_color", s_Molecule_SetGraphicColor, 1);
 	rb_define_method(rb_cMolecule, "set_graphic_color", s_Molecule_SetGraphicColor, 2);
 	rb_define_method(rb_cMolecule, "show_graphic", s_Molecule_ShowGraphic, 1);
 	rb_define_method(rb_cMolecule, "hide_graphic", s_Molecule_HideGraphic, 1);
diff --git a/Scripts/loadsave.rb b/Scripts/loadsave.rb
index afa2215..ae72290 100755
--- a/Scripts/loadsave.rb
+++ b/Scripts/loadsave.rb
@@ -1211,4 +1211,14 @@ end_of_header
 	self
   end
 
+  #  Plug-in for loading mbsf
+  def loadmbsf_plugin(s, lineno)
+    ""
+  end
+  
+  #  Plug-in for saving mbsf
+  def savembsf_plugin
+    ""
+  end
+  
 end