Sketch out Spectrum API

1 files changed, 87 insertions, 0 deletions

diff --git a/libcrystfel/src/spectrum.h b/libcrystfel/src/spectrum.h
new file mode 100644
index 00000000..abce55a2
--- /dev/null
+++ b/libcrystfel/src/spectrum.h
@@ -0,0 +1,87 @@
+/*
+ * spectrum.h
+ *
+ * A class representing a radiation spectrum
+ *
+ * Copyright © 2019 Deutsches Elektronen-Synchrotron DESY,
+ *                  a research centre of the Helmholtz Association.
+ *
+ * Authors:
+ *   2019 Thomas White <taw@physics.org>
+ *
+ * This file is part of CrystFEL.
+ *
+ * CrystFEL is free software: you can redistribute it and/or modify
+ * it under the terms of the GNU General Public License as published by
+ * the Free Software Foundation, either version 3 of the License, or
+ * (at your option) any later version.
+ *
+ * CrystFEL is distributed in the hope that it will be useful,
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
+ * GNU General Public License for more details.
+ *
+ * You should have received a copy of the GNU General Public License
+ * along with CrystFEL.  If not, see <http://www.gnu.org/licenses/>.
+ *
+ */
+
+#ifndef SPECTRUM_H
+#define SPECTRUM_H
+
+#ifdef HAVE_CONFIG_H
+#include <config.h>
+#endif
+
+
+/**
+ * \file spectrum.h
+ * Data structure representing a radiation spectrum
+ */
+
+/**
+ * This data structure is opaque.  You must use the available accessor functions
+ * to read and write its contents.
+ **/
+typedef struct _spectrum Spectrum;
+
+
+/**
+ * Structure representing a Gaussian distribution of spectral density.
+ */
+struct gaussian
+{
+	double kcen;
+	double sigma;
+	double height;
+};
+
+
+#ifdef __cplusplus
+extern "C" {
+#endif
+
+extern Spectrum *spectrum_new(void);
+
+extern void spectrum_free(Spectrum *s);
+
+extern int spectrum_get_num_gaussians(Spectrum *s, double tol);
+
+extern struct gaussian spectrum_get_gaussian(Spectrum *s, int n);
+
+extern double spectrum_get_density_at_k(Spectrum *s, double k);
+
+extern void spectrum_get_range(Spectrum *s, double tol,
+                               double *kmin, double *kmax);
+
+extern void spectrum_set_gaussians(Spectrum *s, struct gaussian *gs,
+                                   int n_gauss);
+
+extern void spectrum_set_histogram(Spectrum *s, double *kcens, double *heights,
+                                   int nbins);
+
+#ifdef __cplusplus
+}
+#endif
+
+#endif	/* SPECTRUM_H */