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In rama plot, #ifdef corrections for clipper old/standard clipper
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pemsley committed Sep 26, 2018
1 parent 9cf040d commit 52543ff
Showing 1 changed file with 7 additions and 1 deletion.
8 changes: 7 additions & 1 deletion src/rama_plot.cc
Expand Up @@ -1417,7 +1417,8 @@ coot::rama_plot::draw_phi_psi_point_internal(const coot::util::phi_psi_t &phi_ps
} else {
// pre-pro
if (phi_psi.is_pre_pro()) {
g_print("BL DEBUG:: have pre_pro rn %s\n", phi_psi.residue_name());
// g_print("BL DEBUG:: have pre_pro rn %s\n", phi_psi.residue_name().c_str());
#ifdef CLIPPER_HAS_TOP8000
if (r_pre_pro.allowed(clipper::Util::d2rad(phi),
clipper::Util::d2rad(psi))) {
region = coot::rama_plot::RAMA_ALLOWED;
Expand All @@ -1430,10 +1431,12 @@ coot::rama_plot::draw_phi_psi_point_internal(const coot::util::phi_psi_t &phi_ps
colour = "red3";
region = coot::rama_plot::RAMA_OUTLIER;
}
#endif // CLIPPER_HAS_TOP8000
} else {
// Ile Val
if (phi_psi.residue_name() == "ILE" ||
phi_psi.residue_name() == "VAL") {
#ifdef CLIPPER_HAS_TOP8000
if (r_ileval.allowed(clipper::Util::d2rad(phi),
clipper::Util::d2rad(psi))) {
region = coot::rama_plot::RAMA_ALLOWED;
Expand All @@ -1446,8 +1449,10 @@ coot::rama_plot::draw_phi_psi_point_internal(const coot::util::phi_psi_t &phi_ps
colour = "red3";
region = coot::rama_plot::RAMA_OUTLIER;
}
#endif // CLIPPER_HAS_TOP8000
} else {
// conventional residue
#ifdef CLIPPER_HAS_TOP8000
if (r_non_gly_pro_pre_pro_ileval.allowed(clipper::Util::d2rad(phi),
clipper::Util::d2rad(psi))) {
region = coot::rama_plot::RAMA_ALLOWED;
Expand All @@ -1460,6 +1465,7 @@ coot::rama_plot::draw_phi_psi_point_internal(const coot::util::phi_psi_t &phi_ps
colour = "red3";
region = coot::rama_plot::RAMA_OUTLIER;
}
#endif // CLIPPER_HAS_TOP8000
}
}
}
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