From 3e29b4363a92fd691ff8819b32cd0b83d0294ee2 Mon Sep 17 00:00:00 2001
From: Giovanni Bussi <giovanni.bussi@gmail.com>
Date: Tue, 14 Feb 2017 18:40:12 +0100
Subject: [PATCH] Regtest with exceptions
This regtest can be used to test if it is possible to
catch exceptions raised in plumed
---
.../basic/rt-make-exceptions/COLVAR.reference | 4 +
regtest/basic/rt-make-exceptions/H1.reference | 4 +
regtest/basic/rt-make-exceptions/H2.reference | 3 +
regtest/basic/rt-make-exceptions/Makefile | 1 +
regtest/basic/rt-make-exceptions/config | 2 +
regtest/basic/rt-make-exceptions/main.cpp | 95 +++++++++++++++++++
.../basic/rt-make-exceptions/output.reference | 15 +++
7 files changed, 124 insertions(+)
create mode 100644 regtest/basic/rt-make-exceptions/COLVAR.reference
create mode 100644 regtest/basic/rt-make-exceptions/H1.reference
create mode 100644 regtest/basic/rt-make-exceptions/H2.reference
create mode 100644 regtest/basic/rt-make-exceptions/Makefile
create mode 100644 regtest/basic/rt-make-exceptions/config
create mode 100644 regtest/basic/rt-make-exceptions/main.cpp
create mode 100644 regtest/basic/rt-make-exceptions/output.reference
diff --git a/regtest/basic/rt-make-exceptions/COLVAR.reference b/regtest/basic/rt-make-exceptions/COLVAR.reference
new file mode 100644
index 000000000..151e6fe3f
--- /dev/null
+++ b/regtest/basic/rt-make-exceptions/COLVAR.reference
@@ -0,0 +1,4 @@
+#! FIELDS time d d1 m1.bias
+ 0.000000 0.00000 0.00000 0.00000
+ 0.000000 5.19615 5.19615 0.00000
+ 0.000000 10.39230 10.39230 0.58275
diff --git a/regtest/basic/rt-make-exceptions/H1.reference b/regtest/basic/rt-make-exceptions/H1.reference
new file mode 100644
index 000000000..1dc9eb494
--- /dev/null
+++ b/regtest/basic/rt-make-exceptions/H1.reference
@@ -0,0 +1,4 @@
+#! FIELDS time d sigma_d height biasf
+#! SET multivariate false
+ 0.00000 5.19615 5.00000 1.00000 1.00000
+ 0.00000 10.39230 5.00000 1.00000 1.00000
diff --git a/regtest/basic/rt-make-exceptions/H2.reference b/regtest/basic/rt-make-exceptions/H2.reference
new file mode 100644
index 000000000..693c6e7dc
--- /dev/null
+++ b/regtest/basic/rt-make-exceptions/H2.reference
@@ -0,0 +1,3 @@
+#! FIELDS time d sigma_d height biasf
+#! SET multivariate false
+ 0.00000 10.39230 5.00000 1.00000 1.00000
diff --git a/regtest/basic/rt-make-exceptions/Makefile b/regtest/basic/rt-make-exceptions/Makefile
new file mode 100644
index 000000000..3703b27ce
--- /dev/null
+++ b/regtest/basic/rt-make-exceptions/Makefile
@@ -0,0 +1 @@
+include ../../scripts/test.make
diff --git a/regtest/basic/rt-make-exceptions/config b/regtest/basic/rt-make-exceptions/config
new file mode 100644
index 000000000..20e634a83
--- /dev/null
+++ b/regtest/basic/rt-make-exceptions/config
@@ -0,0 +1,2 @@
+type=make
+plumed_needs="exceptions"
diff --git a/regtest/basic/rt-make-exceptions/main.cpp b/regtest/basic/rt-make-exceptions/main.cpp
new file mode 100644
index 000000000..109cf184d
--- /dev/null
+++ b/regtest/basic/rt-make-exceptions/main.cpp
@@ -0,0 +1,95 @@
+#include "plumed/tools/Stopwatch.h"
+#include "plumed/tools/Exception.h"
+#include "plumed/wrapper/Plumed.h"
+#include <fstream>
+#include <iostream>
+#include <vector>
+
+using namespace PLMD;
+
+int main(){
+
+ std::ofstream ofs("output");
+
+ {
+// test a mistake in timer
+ Stopwatch sw;
+ try{ sw.pause();
+ } catch(Exception& e) { ofs<<"E pause\n"; }
+ }
+
+ Plumed plumed;
+
+// first try to wrongly set real precision
+ unsigned i=127;
+ try{ plumed.cmd("setRealPrecision",&i);
+ } catch(Exception&e){ ofs<<"E setRealPrecision"<<std::endl;}
+
+ int natoms=10;
+
+ std::vector<double> positions(3*natoms,0.0);
+ for(unsigned i=0;i<3*natoms;i++) positions[i]=i;
+ std::vector<double> masses(natoms,1.0);
+ std::vector<double> forces(3*natoms,0.0);
+ std::vector<double> box(9,0.0);
+ std::vector<double> virial(9,0.0);
+
+ plumed.cmd("setNatoms",&natoms);
+ plumed.cmd("setLogFile","test.log");
+ plumed.cmd("init");
+
+// I try many mistaken lines.
+// Each of them will raise an exception
+// Notice that name "d" will not be reserved and it will be possible
+// to use it later
+ try{ plumed.cmd("readInputLine","d: DISTANCE ATOMS=1,2,3");
+ } catch(Exception& e) { ofs<<"E d:DISTANCE ATOMS=1,2,3"<<std::endl; }
+ try{ plumed.cmd("readInputLine","d:DISTANCE ATOMS=1,2");
+ } catch(Exception& e) { ofs<<"E d:DISTANCE ATOMS=1,2"<<std::endl; }
+ try{ plumed.cmd("readInputLine","d: DIST ANCE ATOMS=1,2");
+ } catch(Exception& e) { ofs<<"E d: DIST ANCE ATOMS=1,2"<<std::endl; }
+ try{ plumed.cmd("readInputLine","d: ANGLE ATOMS=1,2,3,4,5");
+ } catch(Exception& e) { ofs<<"E d: ANGLE ATOMS=1,2,3,4,5 "<<std::endl; }
+ try{ plumed.cmd("readInputLine","d: COORDINATION GROUPA=1 GROUPB=2 R_0=0.5 NN=1.5");
+ } catch(Exception& e) { ofs<<"E d: COORDINATION GROUPA=1 GROUPB=2 R_0=0.5 NN=1.5"<<std::endl; }
+
+// these should not fail
+ plumed.cmd("readInputLine","d: DISTANCE ATOMS=1,2");
+ plumed.cmd("readInputLine","d1: DISTANCE ATOMS={1 2}"); // check if braces are parsed correctly
+ plumed.cmd("readInputLine","RESTRAINT ARG=d AT=0 KAPPA=1");
+
+// Check stupid option to RESTART
+ try{ plumed.cmd("readInputLine","METAD ARG=d PACE=1 SIGMA=1 HEIGHT=0 FILE=H1 RESTART=WHAT");
+ } catch(Exception& e) { ofs<<"E METAD ARG=d PACE=1 SIGMA=1 HEIGHT=0 FILE=H1 RESTART=WHAT"<<std::endl; }
+
+// these should not fail
+ plumed.cmd("readInputLine","m1: METAD ARG=d PACE=1 SIGMA=5 HEIGHT=1 FILE=H1 FMT=%9.5f");
+ plumed.cmd("readInputLine","m2: METAD ARG=d PACE=2 SIGMA=5 HEIGHT=1 FILE=H2 FMT=%9.5f");
+ plumed.cmd("readInputLine","PRINT ARG=d,d1,m1.bias FILE=COLVAR FMT=%9.5f");
+
+ try{ plumed.cmd("something random here",NULL);
+ } catch(Exception& e) { ofs<<"E random cmd"<<std::endl;}
+ for(int step=0;step<3;step++){
+
+// this should fail
+ try{ plumed.cmd("setStep",NULL);
+ } catch(Exception& e) { ofs<<"E cmd setStep NULL"<<std::endl;}
+
+ plumed.cmd("setStep",&step);
+ plumed.cmd("setPositions",&positions[0]);
+ plumed.cmd("setBox",&box[0]);
+ plumed.cmd("setForces",&forces[0]);
+ plumed.cmd("setVirial",&virial[0]);
+ plumed.cmd("setMasses",&masses[0]);
+// set positions after having passed the pointer. They should be accessed here (at "calc").
+ for(unsigned i=0;i<3*natoms;i++) positions[i]=i*step;
+ plumed.cmd("calc");
+
+// this should fail
+ try{ plumed.cmd("setMasses",&masses[0]);
+ } catch(Exception& e) { ofs<<"E setMasses called in wrong place"<<std::endl;}
+ }
+
+ return 0;
+
+}
diff --git a/regtest/basic/rt-make-exceptions/output.reference b/regtest/basic/rt-make-exceptions/output.reference
new file mode 100644
index 000000000..c84dc4e11
--- /dev/null
+++ b/regtest/basic/rt-make-exceptions/output.reference
@@ -0,0 +1,15 @@
+E pause
+E setRealPrecision
+E d:DISTANCE ATOMS=1,2,3
+E d:DISTANCE ATOMS=1,2
+E d: DIST ANCE ATOMS=1,2
+E d: ANGLE ATOMS=1,2,3,4,5
+E d: COORDINATION GROUPA=1 GROUPB=2 R_0=0.5 NN=1.5
+E METAD ARG=d PACE=1 SIGMA=1 HEIGHT=0 FILE=H1 RESTART=WHAT
+E random cmd
+E cmd setStep NULL
+E setMasses called in wrong place
+E cmd setStep NULL
+E setMasses called in wrong place
+E cmd setStep NULL
+E setMasses called in wrong place
--
GitLab